#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s SER 29 N 0.00 6.68 -0.00 4.39 0.01 -1.26 -4.43 113.70 119.09 3hf9 s SER 29 Ca 0.00 1.41 0.05 0.00 1.31 0.00 0.00 55.95 58.72 3hf9 s SER 29 Cb 0.00 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 3hf9 s SER 29 CO 0.00 -0.43 -0.15 -0.69 0.41 0.00 0.00 173.24 172.38 3hf9 s VAL 30 N -2.36 1.21 -0.06 3.43 1.01 0.32 -3.01 120.40 120.93 3hf9 s VAL 30 Ca 0.56 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3hf9 s VAL 30 Cb -0.10 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3hf9 s VAL 30 CO 0.26 0.28 -0.24 -0.69 0.00 0.00 0.00 175.10 174.70 3hf9 s VAL 31 N -0.46 2.01 -0.08 2.92 1.01 0.18 -0.28 120.40 125.70 3hf9 s VAL 31 Ca 0.05 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3hf9 s VAL 31 Cb -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3hf9 s VAL 31 CO -0.00 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 3hf9 s ALA 32 N -0.08 1.59 -0.01 5.51 0.00 -0.33 -1.12 121.76 127.32 3hf9 s ALA 32 Ca -0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 32 Cb -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3hf9 s ALA 32 CO 0.04 0.11 0.10 -0.48 0.00 0.00 0.00 175.76 175.54 3hf9 s LEU 33 N 0.66 1.67 0.34 0.00 2.34 -0.58 0.05 118.68 123.15 3hf9 s LEU 33 Ca -0.14 -0.10 -0.26 0.00 0.06 0.00 0.00 54.13 53.69 3hf9 s LEU 33 Cb -0.16 0.48 -0.09 0.00 -0.56 0.00 0.00 46.19 45.86 3hf9 s LEU 33 CO 0.04 -0.24 1.02 0.00 -1.06 0.00 0.00 176.35 176.11 3hf9 s ALA 34 N -0.89 3.21 0.22 1.48 0.00 -0.05 -0.44 121.76 125.30 3hf9 s ALA 34 Ca -0.10 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 3hf9 s ALA 34 Cb -0.06 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3hf9 s ALA 34 CO 0.01 -0.05 0.20 1.52 0.00 0.00 0.00 175.76 177.44 3hf9 s TYR 35 N -1.50 1.08 0.21 0.00 -0.85 0.12 -4.58 117.35 111.82 3hf9 s TYR 35 Ca 0.51 -1.30 -0.10 0.00 -0.52 0.00 0.00 57.07 55.66 3hf9 s TYR 35 Cb -0.23 -0.44 0.18 0.00 0.38 0.00 0.00 41.96 41.84 3hf9 s TYR 35 CO 0.30 -0.73 1.87 0.00 -1.52 0.00 0.00 175.55 175.47 3hf9 h ALA 36 N 2.51 0.95 -0.69 9.51 0.00 -1.62 -2.74 119.26 127.18 3hf9 h ALA 36 Ca -0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3hf9 h ALA 36 Cb 1.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3hf9 h ALA 36 CO 0.49 0.30 0.18 0.78 0.00 0.00 0.00 179.25 180.99 3hf9 h GLY 37 N 0.95 1.17 0.00 0.00 0.00 -1.93 -3.48 103.07 99.77 3hf9 h GLY 37 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hf9 h GLY 37 CO -0.09 0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.73 3hf9 n GLY 38 N -0.72 -0.59 3.77 4.60 0.00 -1.04 -1.74 105.19 109.47 3hf9 n GLY 38 Ca 0.05 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -4.00 5.25 -0.15 1.61 1.01 -0.96 0.10 120.40 123.26 3hf9 s VAL 39 Ca 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 3hf9 s VAL 39 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3hf9 s VAL 39 CO 0.00 0.46 0.02 -0.22 0.00 0.00 0.00 175.10 175.36 3hf9 s LEU 40 N -0.10 3.59 -0.19 3.92 2.96 0.42 0.14 118.68 129.43 3hf9 s LEU 40 Ca 0.19 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3hf9 s LEU 40 Cb -0.14 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3hf9 s LEU 40 CO 0.07 0.22 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.88 3hf9 s PHE 41 N 0.07 2.91 -0.08 5.38 0.08 0.13 -1.53 117.98 124.94 3hf9 s PHE 41 Ca 0.03 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 56.19 3hf9 s PHE 41 Cb -0.13 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3hf9 s PHE 41 CO 0.02 -0.46 -0.08 0.08 -0.10 0.00 0.00 175.22 174.68 3hf9 s VAL 42 N 1.11 0.90 0.01 -0.44 1.01 -0.27 -1.69 120.40 121.03 3hf9 s VAL 42 Ca 0.01 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3hf9 s VAL 42 Cb -0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3hf9 s VAL 42 CO -0.02 0.32 -0.05 0.00 0.00 0.00 0.00 175.10 175.36 3hf9 s ALA 43 N 1.24 0.38 -0.65 5.51 0.00 -0.31 -0.65 121.76 127.27 3hf9 s ALA 43 Ca -0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 3hf9 s ALA 43 Cb -0.14 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.06 3hf9 s ALA 43 CO -0.02 0.04 0.78 -1.83 0.00 0.00 0.00 175.76 174.73 3hf9 s GLU 44 N -0.58 3.15 -0.16 0.00 -1.05 -1.17 -0.03 118.70 118.87 3hf9 s GLU 44 Ca -0.03 -1.39 -0.00 0.00 -0.15 0.00 0.00 54.97 53.40 3hf9 s GLU 44 Cb -0.04 -4.34 0.04 0.00 -0.44 0.00 0.00 34.13 29.34 3hf9 s GLU 44 CO -0.00 -1.58 -0.07 1.21 0.95 0.00 0.00 175.26 175.77 3hf9 s ASN 45 N 3.54 2.80 0.15 0.83 2.47 -0.01 -4.71 114.94 120.01 3hf9 s ASN 45 Ca 0.15 -0.63 -0.11 0.00 0.42 0.00 0.00 52.86 52.69 3hf9 s ASN 45 Cb -0.20 -0.96 -0.03 0.00 -1.45 0.00 0.00 41.25 38.61 3hf9 s ASN 45 CO 0.04 -0.16 1.50 -0.65 -3.72 0.00 0.00 177.10 174.11 3hf9 h PRO 46 N 8.10 0.96 -6.94 0.43 0.11 -1.88 -3.30 132.00 129.48 3hf9 h PRO 46 Ca -0.26 -0.47 -0.53 0.00 0.11 0.00 0.00 66.00 64.85 3hf9 h PRO 46 Cb 1.11 -0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.32 3hf9 h PRO 46 CO 0.42 1.13 0.71 0.45 -0.21 0.00 0.00 178.00 180.50 3hf9 s SER 47 N -6.78 6.33 0.20 -2.05 0.15 -1.26 -4.89 113.70 105.41 3hf9 s SER 47 Ca -0.11 2.89 0.24 0.00 0.70 0.00 0.00 55.95 59.67 3hf9 s SER 47 Cb 0.11 -2.66 0.31 0.00 -1.71 0.00 0.00 66.02 62.08 3hf9 s SER 47 CO 0.88 -0.86 1.35 0.08 1.20 0.00 0.00 173.24 175.89 3hf9 h ARG 48 N 2.90 0.00 0.00 5.44 0.11 -1.96 -3.40 114.38 117.46 3hf9 h ARG 48 Ca -0.50 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.54 3hf9 h ARG 48 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3hf9 h ARG 48 CO 0.64 0.00 -1.22 -1.13 0.10 0.00 0.00 179.97 178.35 3hf9 n SER 49 N -2.44 4.08 -4.49 0.08 3.41 -1.26 -4.97 113.62 108.04 3hf9 n SER 49 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.29 3hf9 n SER 49 Cb 0.48 0.88 -0.12 0.00 -0.26 0.00 0.00 64.21 65.19 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -3.79 3.37 -0.08 1.04 1.43 -1.26 -5.08 118.68 114.29 3hf9 s LEU 50 Ca -0.02 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3hf9 s LEU 50 Cb 0.02 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3hf9 s LEU 50 CO 0.16 0.09 -0.12 -1.10 0.23 0.00 0.00 176.35 175.62 3hf9 s GLN 51 N 0.83 2.90 0.09 1.70 -0.21 -1.26 -4.84 119.66 118.87 3hf9 s GLN 51 Ca 0.01 -0.65 0.22 0.00 0.02 0.00 0.00 55.36 54.97 3hf9 s GLN 51 Cb -0.14 -2.54 -0.11 0.00 1.00 0.00 0.00 33.01 31.22 3hf9 s GLN 51 CO 0.02 0.48 0.84 1.63 -2.12 0.00 0.00 175.29 176.15 3hf9 n LYS 52 N 2.74 0.55 -4.40 2.91 5.02 -1.26 -4.93 118.16 118.79 3hf9 n LYS 52 Ca -0.18 -0.02 -0.27 0.00 -2.02 0.00 0.00 58.31 55.83 3hf9 n LYS 52 Cb 0.52 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 3hf9 n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hf9 s ILE 53 N -3.38 2.50 -0.12 -0.18 1.01 -1.26 -1.32 121.20 118.46 3hf9 s ILE 53 Ca -0.02 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.37 3hf9 s ILE 53 Cb 0.12 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.51 3hf9 s ILE 53 CO 0.83 -0.11 0.97 -0.55 0.00 0.00 0.00 174.94 176.08 3hf9 s SER 54 N -2.68 -0.37 0.57 3.58 0.15 -0.30 -5.00 113.70 109.66 3hf9 s SER 54 Ca 0.21 0.31 -0.17 0.00 0.70 0.00 0.00 55.95 57.00 3hf9 s SER 54 Cb -0.08 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.51 3hf9 s SER 54 CO 0.11 -0.42 1.06 -0.70 1.20 0.00 0.00 173.24 174.49 3hf9 s GLU 55 N -1.64 3.42 -0.00 5.44 2.12 -1.26 -1.25 118.70 125.53 3hf9 s GLU 55 Ca -0.00 1.26 -0.00 0.00 0.36 0.00 0.00 54.97 56.59 3hf9 s GLU 55 Cb -0.01 -2.04 -0.00 0.00 0.26 0.00 0.00 34.13 32.34 3hf9 s GLU 55 CO -0.01 -0.73 -0.00 1.28 -0.54 0.00 0.00 175.26 175.25 3hf9 n LEU 56 N -1.76 1.15 0.00 2.70 4.77 -0.93 -4.77 117.00 118.16 3hf9 n LEU 56 Ca 0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 3hf9 n LEU 56 Cb 0.53 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3hf9 n LEU 56 CO 0.45 0.20 0.18 0.00 -1.33 0.00 0.00 177.39 176.89 3hf9 n TYR 57 N -2.82 -1.35 -0.16 -1.77 9.36 -1.05 -4.69 117.16 114.68 3hf9 n TYR 57 Ca -0.01 -1.43 -0.07 0.00 3.32 0.00 0.00 57.90 59.72 3hf9 n TYR 57 Cb 0.51 0.44 0.02 0.00 -0.63 0.00 0.00 39.34 39.67 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hf9 h ASP 58 N 1.28 0.50 -0.21 2.98 3.32 -1.97 -3.17 116.42 119.16 3hf9 h ASP 58 Ca -0.19 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3hf9 h ASP 58 Cb 0.78 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3hf9 h ASP 58 CO 0.25 0.36 0.00 0.54 -1.72 0.00 0.00 179.24 178.67 3hf9 n ARG 59 N -4.79 1.83 -5.10 3.56 5.12 -1.26 -0.62 116.66 115.39 3hf9 n ARG 59 Ca 0.02 -1.76 -0.31 0.00 -1.93 0.00 0.00 57.85 53.87 3hf9 n ARG 59 Cb 0.05 -1.33 -0.15 0.00 -1.16 0.00 0.00 32.46 29.87 3hf9 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hf9 s VAL 60 N -1.17 2.23 0.22 1.55 0.11 -1.20 -1.50 120.40 120.65 3hf9 s VAL 60 Ca 0.24 -1.16 0.10 0.00 -2.93 0.00 0.00 61.98 58.22 3hf9 s VAL 60 Cb 0.14 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 3hf9 s VAL 60 CO 0.20 0.50 -0.18 -0.83 -3.33 0.00 0.00 175.10 171.47 3hf9 s GLY 61 N -0.87 1.60 -0.03 6.54 0.00 0.42 -2.19 107.32 112.80 3hf9 s GLY 61 Ca 0.11 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.14 3hf9 s GLY 61 CO 0.01 -1.79 -0.07 -0.12 0.00 0.00 0.00 173.10 171.13 3hf9 s PHE 62 N -2.56 0.79 -0.01 1.90 2.19 -0.38 -0.98 117.98 118.93 3hf9 s PHE 62 Ca 0.24 -0.20 -0.00 0.00 0.33 0.00 0.00 56.93 57.30 3hf9 s PHE 62 Cb -0.04 -0.60 0.01 0.00 -1.31 0.00 0.00 43.02 41.08 3hf9 s PHE 62 CO 0.10 -0.11 0.02 0.00 1.83 0.00 0.00 175.22 177.05 3hf9 s ALA 63 N 0.37 -0.01 0.23 11.12 0.00 -0.60 -1.14 121.76 131.72 3hf9 s ALA 63 Ca -0.05 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3hf9 s ALA 63 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3hf9 s ALA 63 CO 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 175.76 175.77 3hf9 s ALA 64 N 0.19 1.69 0.03 0.00 0.00 -0.43 -0.15 121.76 123.08 3hf9 s ALA 64 Ca -0.02 -1.77 -0.02 0.00 0.00 0.00 0.00 51.96 50.16 3hf9 s ALA 64 Cb -0.02 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3hf9 s ALA 64 CO -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.42 3hf9 s ALA 65 N -3.58 0.12 0.00 0.00 0.00 -0.79 -4.84 121.76 112.67 3hf9 s ALA 65 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3hf9 s ALA 65 Cb 0.07 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3hf9 s ALA 65 CO 0.09 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3hf9 n GLY 66 N 1.24 0.60 3.65 0.00 0.00 -1.26 -2.15 105.19 107.27 3hf9 n GLY 66 Ca -0.22 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.44 4.15 0.03 1.61 2.20 -0.63 -4.94 119.74 121.72 3hf9 s LYS 67 Ca 0.00 1.78 -0.08 0.00 -0.36 0.00 0.00 55.97 57.31 3hf9 s LYS 67 Cb 0.00 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 3hf9 s LYS 67 CO 0.00 -0.83 1.13 0.35 -0.36 0.00 0.00 175.35 175.64 3hf9 h PHE 68 N 8.91 -0.41 -0.38 4.03 3.57 -1.95 -2.26 116.94 128.45 3hf9 h PHE 68 Ca -0.31 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.32 3hf9 h PHE 68 Cb 1.13 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 3hf9 h PHE 68 CO 0.84 -0.12 0.62 -2.95 -2.23 0.00 0.00 178.31 174.47 3hf9 h ASN 69 N -0.11 0.00 0.09 0.41 -1.07 -1.98 0.49 115.58 113.41 3hf9 h ASN 69 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.21 3hf9 h ASN 69 Cb 0.15 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.41 3hf9 h ASN 69 CO -0.13 0.00 -0.82 -0.33 0.07 0.00 0.00 177.43 176.21 3hf9 h GLU 70 N 0.00 0.20 0.00 4.14 5.08 -1.82 -3.17 114.58 119.01 3hf9 h GLU 70 Ca 0.18 -0.34 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 3hf9 h GLU 70 Cb 1.42 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 3hf9 h GLU 70 CO -0.00 1.16 -1.02 0.27 -1.00 0.00 0.00 179.01 178.42 3hf9 h PHE 71 N -0.54 0.00 0.05 4.33 -5.15 -0.58 -2.63 116.94 112.43 3hf9 h PHE 71 Ca -0.17 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.60 3hf9 h PHE 71 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.68 3hf9 h PHE 71 CO 0.19 0.57 -0.02 0.22 -2.00 0.00 0.00 178.31 177.27 3hf9 h ASP 72 N 0.00 -0.05 -0.02 -0.68 3.58 -0.32 -0.18 116.42 118.76 3hf9 h ASP 72 Ca -0.09 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.09 3hf9 h ASP 72 Cb 1.51 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.57 3hf9 h ASP 72 CO 0.06 0.25 -0.01 -1.13 -2.88 0.00 0.00 179.24 175.52 3hf9 h ASN 73 N -0.35 -0.04 -0.66 2.28 -1.24 -1.62 -0.72 115.58 113.23 3hf9 h ASN 73 Ca -0.01 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.12 3hf9 h ASN 73 Cb 0.32 0.02 -0.11 0.00 0.73 0.00 0.00 38.32 39.27 3hf9 h ASN 73 CO 0.01 -0.00 -0.22 0.18 -1.29 0.00 0.00 177.43 176.10 3hf9 n LEU 74 N -3.02 -0.35 -0.27 0.34 4.77 -0.99 0.80 117.00 118.27 3hf9 n LEU 74 Ca 0.00 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 57.16 3hf9 n LEU 74 Cb 0.00 -0.29 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 3hf9 n LEU 74 CO -0.00 -1.05 1.09 -0.09 -1.33 0.00 0.00 177.39 176.00 3hf9 h ARG 75 N 0.00 0.62 -0.28 3.23 2.43 0.35 0.20 114.38 120.94 3hf9 h ARG 75 Ca 0.26 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3hf9 h ARG 75 Cb 0.43 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hf9 h ARG 75 CO -0.66 0.41 -0.05 0.00 -1.51 0.00 0.00 179.97 178.15 3hf9 h ARG 76 N 0.64 0.52 -0.65 0.20 3.08 0.17 -1.78 114.38 116.56 3hf9 h ARG 76 Ca 0.40 -0.19 0.11 0.00 0.07 0.00 0.00 59.98 60.37 3hf9 h ARG 76 Cb 0.48 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 3hf9 h ARG 76 CO -0.31 0.72 0.24 0.78 -1.07 0.00 0.00 179.97 180.33 3hf9 h GLY 77 N 0.29 0.93 0.76 0.04 0.00 -0.19 -1.46 103.07 103.43 3hf9 h GLY 77 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hf9 h GLY 77 CO 0.02 -0.05 -0.13 -1.33 0.00 0.00 0.00 176.54 175.06 3hf9 h GLY 78 N 0.41 -0.22 0.03 4.60 0.00 -0.27 -1.74 103.07 105.87 3hf9 h GLY 78 Ca 0.34 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.83 3hf9 h GLY 78 CO -0.34 -0.13 -0.36 -2.22 0.00 0.00 0.00 176.54 173.48 3hf9 h ILE 79 N -0.26 0.00 -0.29 2.60 2.04 -0.82 0.27 117.51 121.05 3hf9 h ILE 79 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3hf9 h ILE 79 Cb 0.28 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 3hf9 h ILE 79 CO -0.08 0.00 -0.33 1.56 0.00 0.00 0.00 178.15 179.30 3hf9 h GLN 80 N -0.48 -0.30 -0.32 2.37 4.20 -1.22 -0.21 115.11 119.16 3hf9 h GLN 80 Ca 0.00 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.80 3hf9 h GLN 80 Cb 0.50 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 3hf9 h GLN 80 CO -0.22 -0.20 -0.36 0.35 -0.67 0.00 0.00 178.83 177.72 3hf9 h PHE 81 N -0.32 -1.01 -0.13 2.96 3.57 -0.92 -1.06 116.94 120.03 3hf9 h PHE 81 Ca 0.14 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3hf9 h PHE 81 Cb 0.54 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 3hf9 h PHE 81 CO -0.49 -0.41 -0.34 0.00 -2.23 0.00 0.00 178.31 174.84 3hf9 h ALA 82 N 0.54 -0.42 -0.67 2.41 0.00 0.99 -1.22 119.26 120.91 3hf9 h ALA 82 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 82 Cb 0.56 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3hf9 h ALA 82 CO -0.49 -0.82 0.42 -0.44 0.00 0.00 0.00 179.25 177.91 3hf9 h ASP 83 N -0.42 0.79 0.01 0.00 3.32 -0.69 -0.95 116.42 118.47 3hf9 h ASP 83 Ca 0.09 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3hf9 h ASP 83 Cb 0.57 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3hf9 h ASP 83 CO -0.37 0.60 -0.34 0.74 -1.72 0.00 0.00 179.24 178.16 3hf9 h THR 84 N 0.90 0.28 -0.63 0.35 2.02 -0.95 -1.39 112.91 113.49 3hf9 h THR 84 Ca 0.24 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.52 3hf9 h THR 84 Cb -0.05 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 3hf9 h THR 84 CO -0.05 0.00 0.26 0.03 0.37 0.00 0.00 175.52 176.13 3hf9 h ARG 85 N -0.49 0.44 -0.60 6.66 2.47 -0.66 -0.45 114.38 121.74 3hf9 h ARG 85 Ca 0.06 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.82 3hf9 h ARG 85 Cb 0.58 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 3hf9 h ARG 85 CO -0.27 0.29 0.28 0.78 0.56 0.00 0.00 179.97 181.61 3hf9 h GLY 86 N 0.45 0.86 1.47 0.04 0.00 -1.03 -1.60 103.07 103.25 3hf9 h GLY 86 Ca 0.32 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 3hf9 h GLY 86 CO -0.30 0.06 -0.40 -1.82 0.00 0.00 0.00 176.54 174.08 3hf9 h TYR 87 N 0.51 0.69 -0.00 5.60 3.20 -0.48 -3.20 116.97 123.28 3hf9 h TYR 87 Ca 0.29 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hf9 h TYR 87 Cb 0.27 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3hf9 h TYR 87 CO -0.12 0.89 -0.30 0.00 -1.64 0.00 0.00 178.16 176.99 3hf9 n ALA 88 N -2.50 3.11 -2.88 1.82 0.00 -0.25 -4.92 120.51 114.88 3hf9 n ALA 88 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hf9 n ALA 88 Cb 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3hf9 n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hf9 n TYR 89 N -1.22 0.00 -1.65 0.00 4.01 -0.64 -5.07 117.16 112.60 3hf9 n TYR 89 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 3hf9 n TYR 89 Cb 0.33 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.50 3hf9 n TYR 89 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hf9 s ASP 90 N 1.12 3.43 0.15 7.72 1.01 -1.26 -4.94 116.67 123.90 3hf9 s ASP 90 Ca 0.00 0.76 0.14 0.00 0.71 0.00 0.00 52.55 54.17 3hf9 s ASP 90 Cb 0.00 -1.19 -0.08 0.00 1.01 0.00 0.00 42.92 42.66 3hf9 s ASP 90 CO 0.00 -2.58 1.11 -0.09 0.21 0.00 0.00 175.17 173.82 3hf9 h ARG 91 N -1.52 0.00 0.00 8.23 2.43 -1.90 -3.35 114.38 118.27 3hf9 h ARG 91 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hf9 h ARG 91 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3hf9 h ARG 91 CO 0.56 0.48 0.00 0.54 -1.51 0.00 0.00 179.97 180.04 3hf9 n ARG 92 N -3.09 0.44 0.20 0.20 1.74 -1.26 -3.22 116.66 111.66 3hf9 n ARG 92 Ca -0.04 0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3hf9 n ARG 92 Cb 0.83 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 31.17 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 0.00 0.00 -2.82 0.55 3.58 -1.93 -3.42 116.42 112.38 3hf9 h ASP 93 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 3hf9 h ASP 93 Cb 0.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3hf9 h ASP 93 CO 0.00 0.34 0.95 -0.69 -2.88 0.00 0.00 179.24 176.96 3hf9 s VAL 94 N -4.14 4.03 0.06 2.25 1.01 -1.20 -4.99 120.40 117.42 3hf9 s VAL 94 Ca -0.03 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.23 3hf9 s VAL 94 Cb 0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3hf9 s VAL 94 CO 0.71 -0.10 -0.06 0.42 0.00 0.00 0.00 175.10 176.07 3hf9 s THR 95 N 3.55 0.48 0.28 3.92 -4.23 -1.26 -4.97 115.64 113.41 3hf9 s THR 95 Ca 0.61 -1.55 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3hf9 s THR 95 Cb -0.26 -1.18 0.24 0.00 1.34 0.00 0.00 72.50 72.64 3hf9 s THR 95 CO 0.20 -0.72 1.93 1.23 -0.54 0.00 0.00 174.62 176.72 3hf9 h GLY 96 N 3.63 1.21 0.98 3.99 0.00 -1.94 -0.29 103.07 110.65 3hf9 h GLY 96 Ca -0.35 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3hf9 h GLY 96 CO 0.56 0.47 0.23 -0.09 0.00 0.00 0.00 176.54 177.71 3hf9 h ARG 97 N 1.16 0.56 -0.58 4.80 2.43 -1.96 0.09 114.38 120.87 3hf9 h ARG 97 Ca 0.31 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3hf9 h ARG 97 Cb -0.08 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3hf9 h ARG 97 CO -0.06 0.43 0.27 0.37 -1.51 0.00 0.00 179.97 179.47 3hf9 h GLN 98 N 0.53 0.84 -0.65 0.20 4.15 -1.73 -0.45 115.11 117.99 3hf9 h GLN 98 Ca 0.14 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 3hf9 h GLN 98 Cb 0.03 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 3hf9 h GLN 98 CO -0.03 0.69 0.13 -0.07 -1.93 0.00 0.00 178.83 177.63 3hf9 h LEU 99 N 0.79 1.00 -0.66 -2.39 3.38 -0.82 -0.48 115.31 116.13 3hf9 h LEU 99 Ca 0.20 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hf9 h LEU 99 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hf9 h LEU 99 CO -0.02 0.98 0.24 0.00 0.09 0.00 0.00 178.44 179.73 3hf9 h ALA 100 N 1.14 0.86 -0.70 1.53 0.00 -0.64 -0.55 119.26 120.89 3hf9 h ALA 100 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 100 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hf9 h ALA 100 CO 0.01 0.49 0.33 -0.97 0.00 0.00 0.00 179.25 179.11 3hf9 h ASN 101 N 0.94 0.92 -0.73 0.00 -1.24 -0.58 -0.36 115.58 114.52 3hf9 h ASN 101 Ca 0.22 -0.14 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 3hf9 h ASN 101 Cb 0.24 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 3hf9 h ASN 101 CO -0.01 0.80 0.31 0.58 -1.29 0.00 0.00 177.43 177.82 3hf9 h VAL 102 N 0.98 1.25 -0.59 2.57 2.07 -0.59 -2.04 116.25 119.90 3hf9 h VAL 102 Ca 0.24 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3hf9 h VAL 102 Cb 0.13 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hf9 h VAL 102 CO -0.03 0.31 0.05 1.88 0.02 0.00 0.00 177.57 179.80 3hf9 h TYR 103 N 1.05 1.05 -0.72 1.57 0.05 -0.64 -2.34 116.97 117.00 3hf9 h TYR 103 Ca 0.25 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3hf9 h TYR 103 Cb 0.19 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3hf9 h TYR 103 CO 0.01 0.92 0.36 0.00 -1.05 0.00 0.00 178.16 178.41 3hf9 h ALA 104 N 1.13 0.92 0.55 3.88 0.00 -0.60 -1.17 119.26 123.97 3hf9 h ALA 104 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 104 Cb 0.47 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hf9 h ALA 104 CO 0.02 0.46 -0.27 1.96 0.00 0.00 0.00 179.25 181.43 3hf9 h GLN 105 N 0.99 -0.71 -0.55 0.00 1.08 -1.19 -0.72 115.11 114.01 3hf9 h GLN 105 Ca 0.25 0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.54 3hf9 h GLN 105 Cb 0.08 0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3hf9 h GLN 105 CO -0.03 -0.47 0.30 1.15 -0.95 0.00 0.00 178.83 178.82 3hf9 h THR 106 N -0.76 0.98 -0.29 -0.54 2.02 -1.17 0.31 112.91 113.46 3hf9 h THR 106 Ca -0.08 -0.20 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 3hf9 h THR 106 Cb 0.58 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3hf9 h THR 106 CO 0.12 0.10 -0.48 -0.07 0.37 0.00 0.00 175.52 175.56 3hf9 h LEU 107 N 0.57 0.93 -1.43 2.58 3.38 -1.22 -2.26 115.31 117.87 3hf9 h LEU 107 Ca 0.24 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hf9 h LEU 107 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hf9 h LEU 107 CO -0.15 1.27 0.01 1.23 0.09 0.00 0.00 178.44 180.90 3hf9 h GLY 108 N 0.62 0.41 0.17 0.83 0.00 -0.30 0.13 103.07 104.93 3hf9 h GLY 108 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hf9 h GLY 108 CO 0.11 0.21 -0.08 -0.84 0.00 0.00 0.00 176.54 175.94 3hf9 h THR 109 N 0.38 0.00 -0.78 4.70 2.02 -0.94 -3.05 112.91 115.23 3hf9 h THR 109 Ca 0.09 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3hf9 h THR 109 Cb 0.24 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.54 3hf9 h THR 109 CO 0.00 0.00 -0.42 -0.38 0.37 0.00 0.00 175.52 175.09 3hf9 n ILE 110 N -2.88 -0.50 0.05 3.11 5.41 -0.86 0.15 119.36 123.85 3hf9 n ILE 110 Ca -0.03 1.88 0.01 0.00 1.00 0.00 0.00 62.75 65.61 3hf9 n ILE 110 Cb 0.09 -2.36 0.03 0.00 -0.71 0.00 0.00 39.64 36.69 3hf9 n ILE 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3hf9 n PHE 111 N -5.03 0.00 -0.01 1.39 7.35 0.45 -2.11 117.46 119.51 3hf9 n PHE 111 Ca 0.03 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.68 3hf9 n PHE 111 Cb 0.23 -0.49 -0.01 0.00 0.35 0.00 0.00 39.48 39.56 3hf9 n PHE 111 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3hf9 n THR 112 N -1.49 1.29 -1.33 -2.13 -1.04 0.99 -4.81 114.28 105.77 3hf9 n THR 112 Ca 0.00 0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 62.04 3hf9 n THR 112 Cb 0.02 -1.86 0.14 0.00 -1.82 0.00 0.00 70.33 66.80 3hf9 n THR 112 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3hf9 n GLU 113 N -3.84 2.42 -3.98 -2.82 2.13 0.12 -4.92 120.64 109.75 3hf9 n GLU 113 Ca -0.06 -3.18 -0.10 0.00 0.66 0.00 0.00 57.16 54.48 3hf9 n GLU 113 Cb 0.22 -2.18 -0.06 0.00 0.27 0.00 0.00 31.44 29.69 3hf9 n GLU 113 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3hf9 s GLN 114 N -3.49 1.36 0.10 5.31 0.74 -0.90 -4.88 119.66 117.89 3hf9 s GLN 114 Ca 0.58 -1.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 3hf9 s GLN 114 Cb 0.48 0.42 -0.13 0.00 1.10 0.00 0.00 33.01 34.89 3hf9 s GLN 114 CO 0.05 -0.53 1.62 0.00 -0.55 0.00 0.00 175.29 175.88 3hf9 h ALA 115 N 2.39 -0.69 -3.64 1.58 0.00 -1.92 -3.43 119.26 113.56 3hf9 h ALA 115 Ca -0.29 -0.11 -0.50 0.00 0.00 0.00 0.00 54.91 54.01 3hf9 h ALA 115 Cb 1.24 0.47 -0.32 0.00 0.00 0.00 0.00 17.79 19.18 3hf9 h ALA 115 CO 0.42 -0.92 -0.81 0.21 0.00 0.00 0.00 179.25 178.15 3hf9 s LYS 116 N -6.02 1.48 0.53 0.00 2.20 -1.26 -5.12 119.74 111.54 3hf9 s LYS 116 Ca -0.16 -0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 54.83 3hf9 s LYS 116 Cb 0.06 -1.27 -0.06 0.00 -1.51 0.00 0.00 37.83 35.05 3hf9 s LYS 116 CO 0.63 0.09 1.13 -2.14 -0.36 0.00 0.00 175.35 174.71 3hf9 s PRO 117 N 0.41 3.41 0.05 4.03 0.02 -1.26 -4.80 135.00 136.86 3hf9 s PRO 117 Ca -0.09 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.24 3hf9 s PRO 117 Cb -0.13 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 3hf9 s PRO 117 CO 0.02 -0.80 1.42 0.71 -0.33 0.00 0.00 177.00 178.02 3hf9 s TYR 118 N -1.76 2.94 -1.43 6.54 1.51 -1.26 -4.91 117.35 118.98 3hf9 s TYR 118 Ca 0.72 0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 57.44 3hf9 s TYR 118 Cb -0.24 -3.70 0.05 0.00 -0.11 0.00 0.00 41.96 37.96 3hf9 s TYR 118 CO 0.27 -2.57 2.14 0.39 -1.11 0.00 0.00 175.55 174.67 3hf9 n GLU 119 N 4.92 2.92 -4.01 -0.62 1.02 -1.26 -4.70 120.64 118.91 3hf9 n GLU 119 Ca 0.13 -2.73 -0.09 0.00 -0.02 0.00 0.00 57.16 54.45 3hf9 n GLU 119 Cb 0.43 -3.33 -0.09 0.00 -0.02 0.00 0.00 31.44 28.44 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 3.38 0.15 -0.13 2.62 -7.23 -1.26 -1.60 120.40 116.32 3hf9 s VAL 120 Ca 0.48 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3hf9 s VAL 120 Cb 0.12 -1.62 0.07 0.00 0.56 0.00 0.00 36.38 35.50 3hf9 s VAL 120 CO -0.06 -0.66 0.21 -0.70 -0.31 0.00 0.00 175.10 173.58 3hf9 s GLU 121 N -3.94 0.12 0.16 4.82 2.12 -0.91 -3.15 118.70 117.92 3hf9 s GLU 121 Ca 0.11 0.54 0.03 0.00 0.36 0.00 0.00 54.97 56.02 3hf9 s GLU 121 Cb 0.06 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 3hf9 s GLU 121 CO -0.06 -0.39 0.25 -0.51 -0.54 0.00 0.00 175.26 174.01 3hf9 s LEU 122 N 2.35 4.20 -0.14 2.70 1.02 -0.52 -1.89 118.68 126.40 3hf9 s LEU 122 Ca 0.03 0.09 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 3hf9 s LEU 122 Cb -0.13 -2.78 0.04 0.00 0.02 0.00 0.00 46.19 43.34 3hf9 s LEU 122 CO -0.08 0.05 0.02 0.00 0.02 0.00 0.00 176.35 176.36 3hf9 s VAL 124 N 1.92 5.31 0.08 0.00 1.01 -0.73 -1.56 120.40 126.42 3hf9 s VAL 124 Ca 0.02 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.37 3hf9 s VAL 124 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3hf9 s VAL 124 CO -0.07 0.30 -0.18 0.00 0.00 0.00 0.00 175.10 175.15 3hf9 s ALA 125 N 1.32 2.65 0.22 5.51 0.00 -0.15 -1.40 121.76 129.91 3hf9 s ALA 125 Ca 0.10 -1.26 0.09 0.00 0.00 0.00 0.00 51.96 50.88 3hf9 s ALA 125 Cb -0.14 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 3hf9 s ALA 125 CO 0.07 0.59 -0.16 -2.00 0.00 0.00 0.00 175.76 174.25 3hf9 s GLU 126 N -1.78 1.41 0.03 0.00 2.12 -0.53 -0.44 118.70 119.52 3hf9 s GLU 126 Ca 0.16 -1.61 0.00 0.00 0.36 0.00 0.00 54.97 53.89 3hf9 s GLU 126 Cb -0.11 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.94 3hf9 s GLU 126 CO 0.08 0.23 -0.04 0.08 -0.54 0.00 0.00 175.26 175.07 3hf9 s VAL 127 N -2.72 0.24 0.50 3.70 1.01 -0.56 -2.80 120.40 119.77 3hf9 s VAL 127 Ca 0.23 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3hf9 s VAL 127 Cb -0.03 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 3hf9 s VAL 127 CO 0.09 -0.56 1.20 0.00 0.00 0.00 0.00 175.10 175.83 3hf9 n ALA 128 N 1.28 1.03 -1.01 5.51 0.00 -1.26 -4.84 120.51 121.21 3hf9 n ALA 128 Ca -0.22 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 3hf9 n ALA 128 Cb 0.56 -2.24 0.12 0.00 0.00 0.00 0.00 19.45 17.89 3hf9 n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hf9 s HIS 129 N -1.31 2.15 0.23 0.00 3.76 -1.26 -4.85 115.29 114.01 3hf9 s HIS 129 Ca 0.68 1.66 -0.18 0.00 -0.15 0.00 0.00 55.06 57.08 3hf9 s HIS 129 Cb -0.46 -3.18 0.24 0.00 1.11 0.00 0.00 32.58 30.28 3hf9 s HIS 129 CO 0.52 -2.25 1.55 -0.92 -0.85 0.00 0.00 174.74 172.79 3hf9 h TYR 130 N -1.45 -1.09 -0.00 1.40 3.20 -1.81 -1.14 116.97 116.08 3hf9 h TYR 130 Ca -0.43 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3hf9 h TYR 130 Cb 1.25 0.62 0.00 0.00 1.54 0.00 0.00 36.73 40.14 3hf9 h TYR 130 CO 0.54 -0.40 -0.05 0.41 -1.64 0.00 0.00 178.16 177.02 3hf9 n GLY 131 N -1.47 -1.22 3.79 1.82 0.00 -1.26 -4.92 105.19 101.93 3hf9 n GLY 131 Ca 0.10 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3hf9 n GLY 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hf9 s GLU 132 N -2.61 2.22 -0.12 1.61 -1.05 -0.43 -5.13 118.70 113.19 3hf9 s GLU 132 Ca 0.26 -2.39 -0.00 0.00 -0.15 0.00 0.00 54.97 52.69 3hf9 s GLU 132 Cb 0.20 -1.58 0.02 0.00 -0.44 0.00 0.00 34.13 32.33 3hf9 s GLU 132 CO 0.48 -0.42 -0.10 0.95 0.95 0.00 0.00 175.26 177.12 3hf9 s THR 133 N -2.88 1.19 -0.29 1.83 -4.23 -1.26 -4.71 115.64 105.29 3hf9 s THR 133 Ca 0.06 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.02 3hf9 s THR 133 Cb 0.00 -1.17 0.12 0.00 1.34 0.00 0.00 72.50 72.79 3hf9 s THR 133 CO 0.04 0.40 0.86 -0.75 -0.54 0.00 0.00 174.62 174.63 3hf9 s LYS 134 N 1.62 0.50 0.08 3.99 2.20 -1.26 -5.08 119.74 121.79 3hf9 s LYS 134 Ca 0.05 0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 56.23 3hf9 s LYS 134 Cb -0.13 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.25 3hf9 s LYS 134 CO -0.09 -0.11 1.40 1.03 -0.36 0.00 0.00 175.35 177.23 3hf9 s ARG 135 N 1.52 4.31 0.22 4.03 0.52 -1.26 -4.29 118.95 124.00 3hf9 s ARG 135 Ca -0.09 2.05 -0.28 0.00 -0.52 0.00 0.00 55.73 56.90 3hf9 s ARG 135 Cb -0.04 -3.35 -0.17 0.00 0.52 0.00 0.00 34.95 31.91 3hf9 s ARG 135 CO -0.17 -0.48 0.54 -2.30 0.02 0.00 0.00 175.30 172.91 3hf9 n PRO 136 N 4.41 0.13 -4.55 3.54 -0.02 -1.26 -4.92 135.00 132.33 3hf9 n PRO 136 Ca 0.12 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 3hf9 n PRO 136 Cb 0.43 -1.09 -0.12 0.00 -0.02 0.00 0.00 33.50 32.70 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.06 3.37 -0.06 -0.52 2.02 -1.12 -4.97 118.70 116.35 3hf9 s GLU 137 Ca 0.63 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 55.06 3hf9 s GLU 137 Cb -0.89 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3hf9 s GLU 137 CO 0.57 0.35 -0.05 -0.51 0.02 0.00 0.00 175.26 175.63 3hf9 s LEU 138 N 0.05 3.25 0.01 1.80 1.43 -1.23 -1.45 118.68 122.54 3hf9 s LEU 138 Ca -0.01 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3hf9 s LEU 138 Cb -0.14 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3hf9 s LEU 138 CO 0.03 0.35 -0.18 -0.31 0.23 0.00 0.00 176.35 176.48 3hf9 s TYR 139 N -0.85 1.55 -0.27 0.29 1.51 -0.49 -3.61 117.35 115.48 3hf9 s TYR 139 Ca 0.13 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3hf9 s TYR 139 Cb -0.11 -0.96 0.08 0.00 -0.11 0.00 0.00 41.96 40.86 3hf9 s TYR 139 CO 0.02 0.02 0.04 0.50 -1.11 0.00 0.00 175.55 175.03 3hf9 s ARG 140 N -0.79 1.04 -0.20 -0.62 3.52 -0.33 -1.78 118.95 119.80 3hf9 s ARG 140 Ca 0.06 -1.02 -0.15 0.00 -0.13 0.00 0.00 55.73 54.49 3hf9 s ARG 140 Cb -0.07 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.95 3hf9 s ARG 140 CO 0.00 -0.81 0.34 0.42 -0.81 0.00 0.00 175.30 174.45 3hf9 s ILE 141 N 1.52 5.25 0.43 4.11 1.09 -0.79 -2.22 121.20 130.58 3hf9 s ILE 141 Ca 0.04 0.59 0.06 0.00 -1.10 0.00 0.00 60.65 60.23 3hf9 s ILE 141 Cb -0.18 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.56 3hf9 s ILE 141 CO -0.15 0.29 0.60 0.42 -0.10 0.00 0.00 174.94 176.00 3hf9 s THR 142 N 1.11 3.22 -0.55 2.92 -4.23 -0.32 -1.44 115.64 116.34 3hf9 s THR 142 Ca 0.17 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3hf9 s THR 142 Cb -0.14 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.62 3hf9 s THR 142 CO 0.07 -0.05 0.95 0.00 -0.54 0.00 0.00 174.62 175.05 3hf9 n TYR 143 N -1.92 0.11 0.70 3.99 4.11 -1.19 -1.59 117.16 121.37 3hf9 n TYR 143 Ca 0.06 0.06 0.08 0.00 -0.00 0.00 0.00 57.90 58.10 3hf9 n TYR 143 Cb 0.59 -0.43 0.06 0.00 -0.00 0.00 0.00 39.34 39.55 3hf9 n TYR 143 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3hf9 n ASP 144 N -1.50 2.25 0.00 9.48 5.68 -1.26 -4.58 116.55 126.62 3hf9 n ASP 144 Ca -0.00 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3hf9 n ASP 144 Cb 0.18 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hf9 n GLY 145 N 0.98 0.85 3.68 6.12 0.00 -0.62 -4.03 105.19 112.17 3hf9 n GLY 145 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3hf9 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hf9 s SER 146 N -2.14 7.07 -0.12 1.61 0.01 -1.25 -4.76 113.70 114.13 3hf9 s SER 146 Ca 0.00 1.32 0.03 0.00 1.31 0.00 0.00 55.95 58.61 3hf9 s SER 146 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3hf9 s SER 146 CO 0.00 -0.40 -0.23 -0.51 0.41 0.00 0.00 173.24 172.52 3hf9 s ILE 147 N 1.98 2.08 0.11 1.44 2.07 -1.26 -1.17 121.20 126.45 3hf9 s ILE 147 Ca 0.42 -0.99 0.06 0.00 -1.41 0.00 0.00 60.65 58.73 3hf9 s ILE 147 Cb -0.17 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.57 3hf9 s ILE 147 CO 0.15 0.55 -0.16 0.00 -1.91 0.00 0.00 174.94 173.58 3hf9 s ALA 148 N 0.56 1.50 -0.50 1.50 0.00 -0.94 -4.99 121.76 118.88 3hf9 s ALA 148 Ca -0.13 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3hf9 s ALA 148 Cb -0.17 -0.12 0.14 0.00 0.00 0.00 0.00 23.12 22.97 3hf9 s ALA 148 CO 0.04 0.18 0.30 0.16 0.00 0.00 0.00 175.76 176.43 3hf9 s ASP 149 N -2.17 3.84 0.79 0.00 -4.77 -1.26 -1.18 116.67 111.92 3hf9 s ASP 149 Ca 0.06 -2.97 -0.13 0.00 -3.30 0.00 0.00 52.55 46.20 3hf9 s ASP 149 Cb -0.07 -1.24 0.07 0.00 -1.09 0.00 0.00 42.92 40.59 3hf9 s ASP 149 CO 0.03 -0.22 1.20 -1.61 0.70 0.00 0.00 175.17 175.28 3hf9 s GLU 150 N -0.14 1.74 -0.00 2.11 2.02 -1.24 -4.92 118.70 118.26 3hf9 s GLU 150 Ca 0.20 1.74 0.09 0.00 0.02 0.00 0.00 54.97 57.02 3hf9 s GLU 150 Cb -0.19 -1.79 -0.11 0.00 0.10 0.00 0.00 34.13 32.14 3hf9 s GLU 150 CO -0.04 -2.14 0.31 -0.35 0.02 0.00 0.00 175.26 173.06 3hf9 n PRO 151 N -3.20 2.68 0.00 0.39 -0.05 -1.26 -3.55 135.00 130.01 3hf9 n PRO 151 Ca 0.13 -0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 3hf9 n PRO 151 Cb 0.50 -1.03 0.00 0.00 -0.05 0.00 0.00 33.50 32.93 3hf9 n PRO 151 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3hf9 n HIS 152 N -1.43 0.00 -3.47 0.54 8.25 -1.26 -4.85 115.22 112.99 3hf9 n HIS 152 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3hf9 n HIS 152 Cb 0.17 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -1.95 -0.58 0.02 4.41 -0.12 -1.26 -0.87 117.98 117.63 3hf9 s PHE 153 Ca 0.00 0.69 0.05 0.00 -0.05 0.00 0.00 56.93 57.63 3hf9 s PHE 153 Cb 0.00 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 3hf9 s PHE 153 CO 0.00 -0.71 -0.16 0.08 -0.05 0.00 0.00 175.22 174.38 3hf9 s VAL 154 N -2.48 1.24 -0.02 -2.49 1.01 0.11 -4.81 120.40 112.95 3hf9 s VAL 154 Ca -0.04 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hf9 s VAL 154 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3hf9 s VAL 154 CO -0.02 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.41 3hf9 s VAL 155 N -0.65 1.18 0.03 2.92 1.01 -1.26 -1.18 120.40 122.45 3hf9 s VAL 155 Ca 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3hf9 s VAL 155 Cb -0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3hf9 s VAL 155 CO 0.01 0.34 -0.06 -0.04 0.00 0.00 0.00 175.10 175.35 3hf9 s MET 156 N -0.23 0.44 0.22 2.72 -1.94 0.62 -4.98 119.30 116.14 3hf9 s MET 156 Ca 0.03 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 3hf9 s MET 156 Cb -0.07 -0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.59 3hf9 s MET 156 CO -0.00 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hf9 n GLY 157 N 1.68 -2.81 7.00 -0.03 0.00 -1.26 -0.52 105.19 109.25 3hf9 n GLY 157 Ca -0.22 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3hf9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 158 N -2.90 0.99 3.51 -0.02 0.00 -1.26 -4.19 105.19 101.32 3hf9 n GLY 158 Ca -0.03 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.80 0.02 2.61 -4.23 -1.26 -4.92 115.64 112.66 3hf9 s THR 159 Ca 0.00 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 3hf9 s THR 159 Cb 0.00 -4.24 -0.23 0.00 1.34 0.00 0.00 72.50 69.37 3hf9 s THR 159 CO 0.00 -0.66 0.89 0.71 -0.54 0.00 0.00 174.62 175.02 3hf9 h THR 160 N 5.89 1.17 -0.22 3.99 1.35 -1.95 -3.40 112.91 119.75 3hf9 h THR 160 Ca -0.26 -2.95 0.06 0.00 -0.55 0.00 0.00 66.41 62.71 3hf9 h THR 160 Cb 1.09 2.61 -0.07 0.00 -1.73 0.00 0.00 68.15 70.05 3hf9 h THR 160 CO 0.91 0.70 -0.26 -0.33 -0.25 0.00 0.00 175.52 176.29 3hf9 h GLU 161 N 0.01 -0.28 0.00 4.72 3.07 -1.95 -0.55 114.58 119.60 3hf9 h GLU 161 Ca -0.19 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 3hf9 h GLU 161 Cb 1.93 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.90 3hf9 h GLU 161 CO 0.11 -0.18 -0.23 -1.35 -1.40 0.00 0.00 179.01 175.95 3hf9 h PRO 162 N -0.29 0.00 0.15 2.33 0.11 -1.90 -1.64 132.00 130.77 3hf9 h PRO 162 Ca 0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.03 3hf9 h PRO 162 Cb 0.48 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.62 3hf9 h PRO 162 CO -0.38 0.23 -0.92 0.82 -0.21 0.00 0.00 178.00 177.53 3hf9 h ILE 163 N 0.00 1.46 -0.82 4.15 2.04 -1.65 -3.05 117.51 119.63 3hf9 h ILE 163 Ca -0.00 -2.55 0.07 0.00 1.00 0.00 0.00 64.86 63.37 3hf9 h ILE 163 Cb 0.53 3.16 -0.05 0.00 -0.74 0.00 0.00 36.82 39.72 3hf9 h ILE 163 CO 0.03 0.73 0.54 0.00 0.00 0.00 0.00 178.15 179.45 3hf9 h ALA 164 N 0.08 1.61 -0.16 1.87 0.00 -0.81 -1.64 119.26 120.21 3hf9 h ALA 164 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hf9 h ALA 164 Cb 1.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3hf9 h ALA 164 CO 0.16 0.26 0.04 -0.91 0.00 0.00 0.00 179.25 178.81 3hf9 h ASN 165 N 0.90 0.23 -0.02 0.00 2.35 -1.40 -0.87 115.58 116.77 3hf9 h ASN 165 Ca 0.36 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3hf9 h ASN 165 Cb 0.24 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3hf9 h ASN 165 CO -0.13 0.39 -0.06 0.00 -1.65 0.00 0.00 177.43 175.98 3hf9 h ALA 166 N 0.85 -0.05 0.04 -0.83 0.00 -1.34 -2.12 119.26 115.82 3hf9 h ALA 166 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 166 Cb 0.24 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3hf9 h ALA 166 CO -0.00 -0.55 -0.45 -0.07 0.00 0.00 0.00 179.25 178.18 3hf9 h LEU 167 N -0.10 -1.36 -0.83 0.00 3.38 -1.33 0.06 115.31 115.13 3hf9 h LEU 167 Ca 0.03 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3hf9 h LEU 167 Cb 0.15 0.52 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 3hf9 h LEU 167 CO -0.08 -0.49 -0.46 0.29 0.09 0.00 0.00 178.44 177.79 3hf9 n LYS 168 N -5.46 -0.33 0.00 1.13 5.02 -0.33 -0.69 118.16 117.49 3hf9 n LYS 168 Ca -0.07 1.26 0.13 0.00 -2.02 0.00 0.00 58.31 57.62 3hf9 n LYS 168 Cb 0.38 -1.86 0.46 0.00 -0.02 0.00 0.00 35.03 33.99 3hf9 n LYS 168 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3hf9 n GLU 169 N -5.08 0.92 -0.07 1.97 0.28 -0.90 -3.75 120.64 114.01 3hf9 n GLU 169 Ca 0.03 -0.49 0.09 0.00 -0.16 0.00 0.00 57.16 56.63 3hf9 n GLU 169 Cb 0.24 -1.49 0.12 0.00 1.43 0.00 0.00 31.44 31.74 3hf9 n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hf9 n SER 170 N -0.61 2.29 -4.01 -1.84 3.41 0.14 -4.98 113.62 108.01 3hf9 n SER 170 Ca 0.14 -2.97 -0.31 0.00 -0.26 0.00 0.00 58.87 55.47 3hf9 n SER 170 Cb 0.33 -0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -2.66 2.77 0.06 7.33 5.04 -0.01 -4.92 117.35 124.96 3hf9 s TYR 171 Ca 0.28 -1.94 0.03 0.00 -2.44 0.00 0.00 57.07 53.00 3hf9 s TYR 171 Cb 0.25 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.77 3hf9 s TYR 171 CO 0.03 -0.81 0.07 0.00 -1.34 0.00 0.00 175.55 173.50 3hf9 s ALA 172 N 1.27 3.54 0.87 3.97 0.00 -1.26 -4.95 121.76 125.20 3hf9 s ALA 172 Ca -0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 3hf9 s ALA 172 Cb -0.18 -1.43 0.13 0.00 0.00 0.00 0.00 23.12 21.63 3hf9 s ALA 172 CO -0.06 0.73 1.24 -1.83 0.00 0.00 0.00 175.76 175.84 3hf9 s GLU 173 N -2.25 1.37 -1.09 0.00 -1.05 -1.26 -4.10 118.70 110.33 3hf9 s GLU 173 Ca 0.28 -0.15 -0.07 0.00 -0.15 0.00 0.00 54.97 54.87 3hf9 s GLU 173 Cb -0.12 -1.92 0.06 0.00 -0.44 0.00 0.00 34.13 31.71 3hf9 s GLU 173 CO 0.20 -1.95 0.33 0.09 0.95 0.00 0.00 175.26 174.88 3hf9 n ASN 174 N -3.50 -3.22 -4.77 0.83 5.03 -1.26 -4.90 115.26 103.47 3hf9 n ASN 174 Ca 0.11 -0.20 -0.31 0.00 0.87 0.00 0.00 54.58 55.05 3hf9 n ASN 174 Cb 0.60 -2.72 0.09 0.00 -1.02 0.00 0.00 39.78 36.74 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hf9 s ALA 175 N -2.75 2.24 0.97 5.41 0.00 -1.26 -4.28 121.76 122.09 3hf9 s ALA 175 Ca 0.29 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3hf9 s ALA 175 Cb -0.16 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 19.88 3hf9 s ALA 175 CO 0.36 -1.76 1.12 0.45 0.00 0.00 0.00 175.76 175.92 3hf9 s SER 176 N -3.44 2.46 0.08 0.00 0.15 -1.26 -2.20 113.70 109.49 3hf9 s SER 176 Ca 0.61 2.04 -0.28 0.00 0.70 0.00 0.00 55.95 59.02 3hf9 s SER 176 Cb -0.17 -2.51 -0.16 0.00 -1.71 0.00 0.00 66.02 61.47 3hf9 s SER 176 CO 0.56 -3.37 1.67 0.25 1.20 0.00 0.00 173.24 173.55 3hf9 h LEU 177 N -2.05 -0.45 -1.98 3.45 5.85 -1.98 -1.34 115.31 116.80 3hf9 h LEU 177 Ca -0.47 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3hf9 h LEU 177 Cb 1.28 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3hf9 h LEU 177 CO 0.43 -0.30 -0.10 0.00 -0.34 0.00 0.00 178.44 178.13 3hf9 h THR 178 N -0.49 0.56 0.34 1.05 1.03 -1.91 0.17 112.91 113.67 3hf9 h THR 178 Ca -0.04 -0.46 -0.02 0.00 -0.01 0.00 0.00 66.41 65.88 3hf9 h THR 178 Cb 0.39 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3hf9 h THR 178 CO 0.05 0.10 -0.16 0.44 -0.01 0.00 0.00 175.52 175.94 3hf9 h ASP 179 N 0.00 -0.39 -1.18 0.00 3.45 -1.89 -2.78 116.42 113.64 3hf9 h ASP 179 Ca -0.00 0.01 0.45 0.00 0.43 0.00 0.00 57.03 57.92 3hf9 h ASP 179 Cb 0.29 0.10 -0.16 0.00 -0.56 0.00 0.00 39.33 39.00 3hf9 h ASP 179 CO 0.01 -0.04 0.70 0.00 -1.57 0.00 0.00 179.24 178.35 3hf9 h ALA 180 N -1.31 2.48 0.30 3.45 0.00 -0.76 0.17 119.26 123.59 3hf9 h ALA 180 Ca -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 180 Cb 0.35 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hf9 h ALA 180 CO 0.08 -1.22 -0.14 1.25 0.00 0.00 0.00 179.25 179.21 3hf9 h LEU 181 N 0.01 -0.34 0.17 0.00 5.85 -0.68 -1.19 115.31 119.13 3hf9 h LEU 181 Ca 0.86 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.45 3hf9 h LEU 181 Cb 2.52 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 43.61 3hf9 h LEU 181 CO -0.63 -0.04 -0.25 0.03 -0.34 0.00 0.00 178.44 177.21 3hf9 h ARG 182 N -0.65 -0.46 -0.81 1.25 3.08 -0.50 0.17 114.38 116.45 3hf9 h ARG 182 Ca -0.04 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.23 3hf9 h ARG 182 Cb 0.46 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 3hf9 h ARG 182 CO 0.07 -0.31 0.22 0.82 -1.07 0.00 0.00 179.97 179.70 3hf9 h ILE 183 N -0.48 0.43 -0.07 2.04 2.04 -0.90 0.32 117.51 120.89 3hf9 h ILE 183 Ca 0.01 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3hf9 h ILE 183 Cb 0.48 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hf9 h ILE 183 CO -0.10 0.05 -0.23 0.00 0.00 0.00 0.00 178.15 177.86 3hf9 h ALA 184 N 1.69 0.12 -0.62 1.87 0.00 -0.47 -0.72 119.26 121.13 3hf9 h ALA 184 Ca 0.48 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 184 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hf9 h ALA 184 CO -0.57 0.11 0.02 0.28 0.00 0.00 0.00 179.25 179.09 3hf9 h VAL 185 N -0.21 1.27 0.04 0.00 2.07 -0.21 -1.87 116.25 117.33 3hf9 h VAL 185 Ca -0.01 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3hf9 h VAL 185 Cb 0.86 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3hf9 h VAL 185 CO 0.05 0.41 -0.04 0.00 0.02 0.00 0.00 177.57 178.01 3hf9 h ALA 186 N 1.00 -0.07 -0.48 1.67 0.00 -0.37 -2.31 119.26 118.70 3hf9 h ALA 186 Ca 0.18 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3hf9 h ALA 186 Cb 0.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hf9 h ALA 186 CO 0.03 -0.55 0.34 0.00 0.00 0.00 0.00 179.25 179.06 3hf9 h ALA 187 N 0.87 2.31 -0.05 0.00 0.00 -0.93 -1.20 119.26 120.26 3hf9 h ALA 187 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3hf9 h ALA 187 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hf9 h ALA 187 CO -0.02 -0.44 -0.66 -0.07 0.00 0.00 0.00 179.25 178.06 3hf9 h LEU 188 N 0.10 0.26 -0.11 0.00 3.38 -0.80 -3.32 115.31 114.82 3hf9 h LEU 188 Ca 0.23 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hf9 h LEU 188 Cb 0.76 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3hf9 h LEU 188 CO -0.02 0.84 -0.29 0.03 0.09 0.00 0.00 178.44 179.09 3hf9 h ARG 189 N 0.16 -0.28 0.00 1.13 3.08 -0.83 -3.49 114.38 114.15 3hf9 h ARG 189 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hf9 h ARG 189 Cb 1.19 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hf9 h ARG 189 CO 0.10 -0.18 0.00 0.00 -1.07 0.00 0.00 179.97 178.82 3hf9 n ALA 190 N -2.83 0.73 0.00 0.04 0.00 -1.25 -5.08 120.51 112.12 3hf9 n ALA 190 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hf9 n ALA 190 Cb 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.47 0.00 -0.71 0.00 0.24 -1.26 -4.71 118.33 111.42 3hf9 n VAL 205 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 3hf9 n VAL 205 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 3hf9 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hf9 n ALA 206 N 0.00 1.52 -0.69 2.33 0.00 -1.26 -4.62 120.51 117.80 3hf9 n ALA 206 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 53.44 52.66 3hf9 n ALA 206 Cb 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 19.45 19.58 3hf9 n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hf9 n SER 207 N -0.27 3.23 -4.44 0.00 3.41 -1.26 -4.81 113.62 109.47 3hf9 n SER 207 Ca 0.01 -2.65 -0.28 0.00 -0.26 0.00 0.00 58.87 55.68 3hf9 n SER 207 Cb 0.43 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 208 N -2.16 2.50 -0.16 1.04 1.43 -1.24 -0.83 118.68 119.26 3hf9 s LEU 208 Ca 0.32 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3hf9 s LEU 208 Cb 0.24 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 3hf9 s LEU 208 CO 0.09 0.15 -0.11 -1.61 0.23 0.00 0.00 176.35 175.10 3hf9 s GLU 209 N -2.39 3.35 -0.03 1.70 2.02 0.96 -4.69 118.70 119.63 3hf9 s GLU 209 Ca 0.18 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.52 3hf9 s GLU 209 Cb -0.09 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3hf9 s GLU 209 CO 0.09 0.07 -0.11 0.08 0.02 0.00 0.00 175.26 175.41 3hf9 s VAL 210 N 0.74 0.95 0.18 2.63 1.01 -1.26 -1.17 120.40 123.47 3hf9 s VAL 210 Ca -0.05 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3hf9 s VAL 210 Cb -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3hf9 s VAL 210 CO 0.02 0.29 0.50 0.00 0.00 0.00 0.00 175.10 175.91 3hf9 s ALA 211 N 0.22 -0.97 0.02 5.51 0.00 -0.68 -2.22 121.76 123.63 3hf9 s ALA 211 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3hf9 s ALA 211 Cb -0.10 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3hf9 s ALA 211 CO 0.01 -0.77 -0.03 0.14 0.00 0.00 0.00 175.76 175.11 3hf9 s VAL 212 N -3.85 0.16 -0.73 0.00 -7.23 -0.15 0.20 120.40 108.80 3hf9 s VAL 212 Ca 0.07 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 3hf9 s VAL 212 Cb -0.00 -0.27 0.10 0.00 0.56 0.00 0.00 36.38 36.76 3hf9 s VAL 212 CO -0.05 -0.39 0.95 -0.76 -0.31 0.00 0.00 175.10 174.53 3hf9 s LEU 213 N -1.22 4.88 -0.55 1.32 1.02 0.12 -2.21 118.68 122.05 3hf9 s LEU 213 Ca -0.12 -1.45 -0.27 0.00 0.02 0.00 0.00 54.13 52.31 3hf9 s LEU 213 Cb -0.08 -2.38 0.03 0.00 0.02 0.00 0.00 46.19 43.78 3hf9 s LEU 213 CO -0.01 -1.23 1.09 -0.62 0.02 0.00 0.00 176.35 175.60 3hf9 s ASP 214 N 3.62 6.44 0.00 2.29 2.15 -0.76 -2.27 116.67 128.14 3hf9 s ASP 214 Ca 0.23 0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.41 3hf9 s ASP 214 Cb -0.15 -2.51 0.99 0.00 -0.30 0.00 0.00 42.92 40.95 3hf9 s ASP 214 CO 0.03 -1.34 1.50 0.00 -0.17 0.00 0.00 175.17 175.19 3hf9 n ALA 215 N 7.97 2.07 0.04 3.66 0.00 -0.71 -2.12 120.51 131.42 3hf9 n ALA 215 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 3hf9 n ALA 215 Cb 0.49 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 3hf9 n ALA 215 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3hf9 h ASN 216 N 0.00 0.35 -3.96 0.00 -1.24 -1.90 -3.42 115.58 105.42 3hf9 h ASN 216 Ca 0.00 -0.56 -0.54 0.00 0.71 0.00 0.00 56.30 55.91 3hf9 h ASN 216 Cb 0.07 -0.11 0.11 0.00 0.73 0.00 0.00 38.32 39.12 3hf9 h ASN 216 CO 0.00 1.48 0.76 -0.13 -1.29 0.00 0.00 177.43 178.25 3hf9 s ARG 217 N -2.60 4.01 0.11 6.67 1.81 -0.90 -4.97 118.95 123.07 3hf9 s ARG 217 Ca -0.11 2.54 -0.18 0.00 -1.72 0.00 0.00 55.73 56.25 3hf9 s ARG 217 Cb 0.07 -2.89 -0.06 0.00 -0.45 0.00 0.00 34.95 31.62 3hf9 s ARG 217 CO 0.83 -0.60 1.63 -1.35 -0.68 0.00 0.00 175.30 175.13 3hf9 h PRO 218 N 2.84 0.42 0.00 3.54 0.11 -1.89 -3.43 132.00 133.59 3hf9 h PRO 218 Ca -0.51 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.52 3hf9 h PRO 218 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hf9 h PRO 218 CO 0.63 0.46 -0.43 -2.13 -0.21 0.00 0.00 178.00 176.33 3hf9 n ARG 219 N -4.74 0.00 -3.44 1.05 0.63 -1.26 -4.37 116.66 104.52 3hf9 n ARG 219 Ca -0.03 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.50 3hf9 n ARG 219 Cb 0.15 -0.42 -0.10 0.00 0.45 0.00 0.00 32.46 32.54 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -2.00 3.63 0.08 -0.14 0.52 -1.26 -4.35 118.95 115.43 3hf9 s ARG 220 Ca 0.00 -0.41 0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3hf9 s ARG 220 Cb 0.00 -3.78 -0.19 0.00 0.52 0.00 0.00 34.95 31.50 3hf9 s ARG 220 CO 0.00 -0.45 1.09 0.00 0.02 0.00 0.00 175.30 175.95 3hf9 h ALA 221 N 8.43 0.52 -2.45 2.13 0.00 -1.12 -3.46 119.26 123.32 3hf9 h ALA 221 Ca -0.31 -1.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.03 3hf9 h ALA 221 Cb 1.15 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hf9 h ALA 221 CO 0.66 1.28 0.70 0.12 0.00 0.00 0.00 179.25 182.02 3hf9 s PHE 222 N -2.71 3.18 -0.13 0.00 5.36 -1.26 -1.83 117.98 120.58 3hf9 s PHE 222 Ca -0.01 1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 56.93 3hf9 s PHE 222 Cb 0.09 -3.57 0.05 0.00 -0.34 0.00 0.00 43.02 39.25 3hf9 s PHE 222 CO 0.81 -1.94 0.32 0.50 -1.46 0.00 0.00 175.22 173.45 3hf9 s ARG 223 N 1.61 0.31 0.72 10.12 3.52 -0.94 -5.00 118.95 129.30 3hf9 s ARG 223 Ca 0.62 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.79 3hf9 s ARG 223 Cb -0.32 -0.01 0.12 0.00 -1.56 0.00 0.00 34.95 33.19 3hf9 s ARG 223 CO 0.28 -0.13 1.00 1.03 -0.81 0.00 0.00 175.30 176.67 3hf9 s ARG 224 N 1.01 1.69 -0.25 5.12 0.52 -1.26 -0.98 118.95 124.80 3hf9 s ARG 224 Ca -0.07 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 3hf9 s ARG 224 Cb -0.08 -2.32 0.11 0.00 0.52 0.00 0.00 34.95 33.19 3hf9 s ARG 224 CO -0.08 -1.45 0.23 0.42 0.02 0.00 0.00 175.30 174.45 3hf9 s ILE 225 N -3.16 -0.31 -0.26 1.52 1.01 -0.94 -4.89 121.20 114.17 3hf9 s ILE 225 Ca 0.66 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 3hf9 s ILE 225 Cb -0.06 -0.83 -0.14 0.00 0.01 0.00 0.00 42.46 41.44 3hf9 s ILE 225 CO 0.44 -0.38 -0.27 0.41 0.00 0.00 0.00 174.94 175.14 3hf9 n THR 226 N 5.31 1.45 0.00 2.92 -1.04 -1.26 -4.41 114.28 117.24 3hf9 n THR 226 Ca -0.04 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 3hf9 n THR 226 Cb 0.47 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 3hf9 n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hf9 n GLY 227 N 1.90 4.17 0.35 3.41 0.00 -1.26 -4.78 105.19 108.98 3hf9 n GLY 227 Ca -0.48 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.17 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 228 N 0.00 0.75 -0.76 1.61 4.64 -1.98 0.73 113.55 118.54 3hf9 h SER 228 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hf9 h SER 228 Cb 0.00 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 3hf9 h SER 228 CO 0.00 0.22 0.48 0.00 -0.87 0.00 0.00 176.83 176.66 3hf9 h ALA 229 N 1.68 1.41 0.16 5.18 0.00 -1.96 0.20 119.26 125.92 3hf9 h ALA 229 Ca 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3hf9 h ALA 229 Cb 1.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hf9 h ALA 229 CO -0.41 0.52 -0.08 1.25 0.00 0.00 0.00 179.25 180.53 3hf9 h LEU 230 N 1.04 -0.18 -0.56 0.00 6.46 0.08 -3.07 115.31 119.07 3hf9 h LEU 230 Ca 0.28 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 58.16 3hf9 h LEU 230 Cb -0.08 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 39.79 3hf9 h LEU 230 CO -0.06 -0.11 -0.11 0.00 -0.62 0.00 0.00 178.44 177.54 3hf9 n GLN 231 N -2.69 -0.05 0.03 1.25 6.02 0.19 0.12 117.38 122.26 3hf9 n GLN 231 Ca -0.03 0.87 -0.11 0.00 -0.01 0.00 0.00 57.00 57.72 3hf9 n GLN 231 Cb 0.08 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 3hf9 n GLN 231 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hf9 h ALA 232 N 1.13 -0.41 0.00 -1.58 0.00 -0.64 -1.12 119.26 116.63 3hf9 h ALA 232 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hf9 h ALA 232 Cb 0.46 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hf9 h ALA 232 CO -0.57 -0.81 0.00 -0.07 0.00 0.00 0.00 179.25 177.80 3hf9 h LEU 233 N -0.43 0.00 0.00 0.00 3.38 -0.22 -3.52 115.31 114.53 3hf9 h LEU 233 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hf9 h LEU 233 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hf9 h LEU 233 CO -0.30 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.41