#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 3 N 0.00 2.73 0.03 12.58 -1.09 -0.35 -2.43 121.20 132.68 3hf9 s ILE 3 Ca 0.00 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.47 3hf9 s ILE 3 Cb 0.00 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3hf9 s ILE 3 CO 0.00 0.49 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.38 3hf9 s VAL 4 N -0.78 0.95 -0.04 2.92 1.01 0.55 -1.53 120.40 123.47 3hf9 s VAL 4 Ca 0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3hf9 s VAL 4 Cb -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3hf9 s VAL 4 CO 0.02 -0.00 0.25 0.00 0.00 0.00 0.00 175.10 175.36 3hf9 s ALA 5 N -0.78 -0.61 0.14 5.51 0.00 -0.31 -0.78 121.76 124.93 3hf9 s ALA 5 Ca 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3hf9 s ALA 5 Cb -0.07 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3hf9 s ALA 5 CO 0.01 -0.19 0.46 -0.48 0.00 0.00 0.00 175.76 175.56 3hf9 s LEU 6 N -0.76 0.13 -0.14 0.00 0.05 -0.11 -1.14 118.68 116.71 3hf9 s LEU 6 Ca -0.08 -0.26 -0.04 0.00 0.05 0.00 0.00 54.13 53.80 3hf9 s LEU 6 Cb -0.05 2.06 -0.03 0.00 -2.05 0.00 0.00 46.19 46.12 3hf9 s LEU 6 CO 0.02 -0.91 0.00 -0.54 -0.55 0.00 0.00 176.35 174.38 3hf9 s LYS 7 N -3.80 3.49 0.22 1.48 1.02 0.72 -1.09 119.74 121.78 3hf9 s LYS 7 Ca 0.03 -0.43 0.08 0.00 0.02 0.00 0.00 55.97 55.67 3hf9 s LYS 7 Cb 0.01 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 3hf9 s LYS 7 CO -0.11 0.42 -0.14 1.52 -0.92 0.00 0.00 175.35 176.12 3hf9 s TYR 8 N -0.11 1.81 0.10 3.18 -0.85 -0.12 -4.95 117.35 116.40 3hf9 s TYR 8 Ca 0.04 -0.56 -0.33 0.00 -0.52 0.00 0.00 57.07 55.71 3hf9 s TYR 8 Cb -0.13 -0.85 -0.12 0.00 0.38 0.00 0.00 41.96 41.24 3hf9 s TYR 8 CO 0.02 0.39 1.75 -2.30 -1.52 0.00 0.00 175.55 173.89 3hf9 n PRO 9 N -0.43 2.44 -0.98 -3.49 -0.02 -1.26 -1.37 135.00 129.89 3hf9 n PRO 9 Ca -0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3hf9 n PRO 9 Cb 0.61 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3hf9 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hf9 n GLY 10 N 3.96 0.33 3.77 -1.23 0.00 0.37 -4.73 105.19 107.66 3hf9 n GLY 10 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 3hf9 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 11 N -2.00 -0.21 0.03 -0.02 0.00 -0.47 -4.13 107.32 100.52 3hf9 s GLY 11 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3hf9 s GLY 11 CO 0.00 -0.01 -0.10 -1.34 0.00 0.00 0.00 173.10 171.65 3hf9 s VAL 12 N -3.49 0.80 -0.04 1.40 -7.23 -0.51 -0.95 120.40 110.37 3hf9 s VAL 12 Ca 0.11 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3hf9 s VAL 12 Cb -0.03 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3hf9 s VAL 12 CO 0.03 -0.10 -0.13 0.54 -0.31 0.00 0.00 175.10 175.13 3hf9 s VAL 13 N -0.88 1.15 -0.03 1.32 0.11 -0.25 -1.12 120.40 120.70 3hf9 s VAL 13 Ca -0.02 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 3hf9 s VAL 13 Cb -0.07 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.76 3hf9 s VAL 13 CO 0.01 0.34 -0.16 -0.32 -3.33 0.00 0.00 175.10 171.65 3hf9 s MET 14 N 0.25 1.54 0.05 1.54 1.75 -0.61 -0.94 119.30 122.87 3hf9 s MET 14 Ca -0.06 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 53.78 3hf9 s MET 14 Cb -0.12 -1.38 -0.01 0.00 2.84 0.00 0.00 34.83 36.16 3hf9 s MET 14 CO 0.02 0.24 0.09 0.00 -0.65 0.00 0.00 175.02 174.72 3hf9 s ALA 15 N -0.02 -0.01 -0.15 4.11 0.00 0.04 -0.42 121.76 125.31 3hf9 s ALA 15 Ca -0.02 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 3hf9 s ALA 15 Cb -0.10 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.37 3hf9 s ALA 15 CO 0.01 -0.35 0.60 0.20 0.00 0.00 0.00 175.76 176.21 3hf9 s GLY 16 N -2.35 -0.46 1.20 0.00 0.00 -0.73 -0.33 107.32 104.65 3hf9 s GLY 16 Ca -0.02 1.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.95 3hf9 s GLY 16 CO -0.06 1.17 1.10 0.51 0.00 0.00 0.00 173.10 175.82 3hf9 s ASP 17 N -0.32 0.93 0.00 1.64 3.84 -1.02 -1.96 116.67 119.79 3hf9 s ASP 17 Ca -0.05 0.66 0.08 0.00 -0.00 0.00 0.00 52.55 53.24 3hf9 s ASP 17 Cb -0.03 -0.93 0.06 0.00 -1.38 0.00 0.00 42.92 40.64 3hf9 s ASP 17 CO 0.04 -4.12 0.75 0.54 -0.00 0.00 0.00 175.17 172.38 3hf9 n ARG 18 N -4.76 0.15 -2.55 2.11 5.12 -1.26 -4.58 116.66 110.89 3hf9 n ARG 18 Ca 0.13 -0.97 -0.29 0.00 -1.93 0.00 0.00 57.85 54.79 3hf9 n ARG 18 Cb 0.59 -1.15 -0.01 0.00 -1.16 0.00 0.00 32.46 30.73 3hf9 n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 19 N -0.67 3.66 -0.16 5.56 6.06 -1.26 -1.93 118.95 130.21 3hf9 s ARG 19 Ca 0.09 0.45 -0.14 0.00 -2.50 0.00 0.00 55.73 53.63 3hf9 s ARG 19 Cb 0.07 -2.31 0.04 0.00 0.06 0.00 0.00 34.95 32.81 3hf9 s ARG 19 CO 0.10 -0.22 0.42 -1.54 -2.50 0.00 0.00 175.30 171.56 3hf9 s SER 20 N -3.73 -0.45 0.20 -2.12 1.04 -0.72 -4.86 113.70 103.06 3hf9 s SER 20 Ca 0.51 0.86 0.11 0.00 0.48 0.00 0.00 55.95 57.91 3hf9 s SER 20 Cb -0.10 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 3hf9 s SER 20 CO 0.41 -0.15 -0.20 0.42 0.98 0.00 0.00 173.24 174.70 3hf9 s THR 21 N 0.36 2.56 -0.62 2.02 -4.23 -1.26 -0.64 115.64 113.83 3hf9 s THR 21 Ca -0.01 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3hf9 s THR 21 Cb -0.04 -2.25 0.15 0.00 1.34 0.00 0.00 72.50 71.71 3hf9 s THR 21 CO -0.01 -0.15 0.39 -1.58 -0.54 0.00 0.00 174.62 172.74 3hf9 s GLN 22 N -2.80 2.28 7.39 3.99 0.74 0.31 -4.82 119.66 126.75 3hf9 s GLN 22 Ca 0.23 -2.93 0.00 0.00 0.05 0.00 0.00 55.36 52.71 3hf9 s GLN 22 Cb -0.08 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3hf9 s GLN 22 CO 0.12 -1.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3hf9 n GLY 23 N 2.66 2.29 0.09 2.59 0.00 -1.26 -2.96 105.19 108.60 3hf9 n GLY 23 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 3hf9 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hf9 n ASN 24 N 9.41 0.82 -4.77 1.61 3.02 -1.26 -4.93 115.26 119.15 3hf9 n ASN 24 Ca 0.00 0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 54.53 3hf9 n ASN 24 Cb 0.00 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3hf9 n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hf9 s MET 25 N -2.83 4.40 -0.33 3.52 -1.94 -1.16 -4.99 119.30 115.97 3hf9 s MET 25 Ca -0.04 1.81 -0.23 0.00 -1.71 0.00 0.00 55.69 55.53 3hf9 s MET 25 Cb 0.08 -2.96 0.00 0.00 2.01 0.00 0.00 34.83 33.97 3hf9 s MET 25 CO 0.82 -0.01 0.76 0.42 -0.01 0.00 0.00 175.02 177.00 3hf9 s ILE 26 N -1.30 4.79 -1.24 2.53 1.01 -1.26 -0.53 121.20 125.20 3hf9 s ILE 26 Ca 0.50 0.99 0.18 0.00 0.00 0.00 0.00 60.65 62.31 3hf9 s ILE 26 Cb -0.31 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 37.91 3hf9 s ILE 26 CO 0.40 -0.32 0.83 -1.54 0.00 0.00 0.00 174.94 174.31 3hf9 n SER 27 N 6.26 1.28 -3.63 3.58 3.41 0.19 -4.91 113.62 119.79 3hf9 n SER 27 Ca 0.03 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.38 3hf9 n SER 27 Cb 0.48 0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 65.11 3hf9 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hf9 s GLY 28 N -2.38 -0.44 0.00 5.00 0.00 -0.93 -4.93 107.32 103.63 3hf9 s GLY 28 Ca 0.11 2.24 0.03 0.00 0.00 0.00 0.00 44.72 47.10 3hf9 s GLY 28 CO 0.59 1.84 0.29 0.54 0.00 0.00 0.00 173.10 176.36 3hf9 n ARG 29 N 2.73 3.95 0.00 2.90 1.74 -1.26 -1.76 116.66 124.97 3hf9 n ARG 29 Ca -0.14 -0.22 0.03 0.00 -0.77 0.00 0.00 57.85 56.75 3hf9 n ARG 29 Cb 0.56 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3hf9 n ARG 29 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hf9 n ASP 30 N -0.68 1.05 -4.68 0.55 5.68 -1.15 -4.55 116.55 112.78 3hf9 n ASP 30 Ca 0.01 -1.03 -0.46 0.00 -0.50 0.00 0.00 54.79 52.81 3hf9 n ASP 30 Cb 0.06 0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 40.40 3hf9 n ASP 30 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hf9 n VAL 31 N -0.22 0.63 -3.05 2.12 0.31 -0.81 -4.98 118.33 112.32 3hf9 n VAL 31 Ca 0.03 -0.11 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 3hf9 n VAL 31 Cb 0.14 -2.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.01 3hf9 n VAL 31 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hf9 s ARG 32 N 4.12 4.26 -0.00 5.55 0.52 -1.26 -4.35 118.95 127.78 3hf9 s ARG 32 Ca 0.91 0.75 0.07 0.00 -0.52 0.00 0.00 55.73 56.94 3hf9 s ARG 32 Cb -0.61 -3.56 -0.09 0.00 0.52 0.00 0.00 34.95 31.21 3hf9 s ARG 32 CO 0.48 -0.22 0.22 1.63 0.02 0.00 0.00 175.30 177.43 3hf9 n LYS 33 N 4.94 2.64 -4.21 3.54 5.02 -1.26 -4.73 118.16 124.11 3hf9 n LYS 33 Ca 0.00 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 3hf9 n LYS 33 Cb 0.50 -0.98 -0.13 0.00 -0.02 0.00 0.00 35.03 34.40 3hf9 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hf9 s VAL 34 N -2.03 3.70 0.10 -0.18 1.01 -1.26 -2.75 120.40 119.00 3hf9 s VAL 34 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3hf9 s VAL 34 Cb 0.05 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3hf9 s VAL 34 CO 0.28 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.42 3hf9 s TYR 35 N 0.86 1.12 -0.44 5.22 1.51 -0.49 -4.97 117.35 120.16 3hf9 s TYR 35 Ca -0.01 -0.65 -0.19 0.00 -1.01 0.00 0.00 57.07 55.22 3hf9 s TYR 35 Cb -0.15 -0.61 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 3hf9 s TYR 35 CO 0.02 0.02 0.53 0.42 -1.11 0.00 0.00 175.55 175.43 3hf9 s ILE 36 N -2.47 4.97 0.17 2.71 1.01 -1.26 -0.56 121.20 125.78 3hf9 s ILE 36 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 3hf9 s ILE 36 Cb -0.03 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.38 3hf9 s ILE 36 CO 0.00 -0.53 1.65 0.71 0.00 0.00 0.00 174.94 176.77 3hf9 h THR 37 N 5.80 1.26 -2.49 2.92 1.35 -1.36 -3.48 112.91 116.91 3hf9 h THR 37 Ca -0.26 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 64.46 3hf9 h THR 37 Cb 1.10 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 3hf9 h THR 37 CO 0.85 0.40 0.02 -0.90 -0.25 0.00 0.00 175.52 175.63 3hf9 n ASP 38 N -4.24 -0.58 -0.35 5.36 5.68 -0.81 -4.45 116.55 117.16 3hf9 n ASP 38 Ca 0.03 -1.56 -0.01 0.00 -0.50 0.00 0.00 54.79 52.75 3hf9 n ASP 38 Cb 0.32 1.01 0.13 0.00 -1.14 0.00 0.00 41.12 41.43 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hf9 h ASP 39 N 0.63 1.04 -0.41 -1.12 3.32 -1.94 -3.10 116.42 114.85 3hf9 h ASP 39 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3hf9 h ASP 39 Cb 0.39 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3hf9 h ASP 39 CO 0.13 0.71 0.00 -1.22 -1.72 0.00 0.00 179.24 177.14 3hf9 n TYR 40 N -4.48 0.80 -3.82 4.55 4.02 -1.26 0.11 117.16 117.08 3hf9 n TYR 40 Ca 0.12 -0.61 -0.11 0.00 -0.01 0.00 0.00 57.90 57.29 3hf9 n TYR 40 Cb 0.09 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 3hf9 n TYR 40 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hf9 s THR 41 N -1.60 0.09 0.03 -0.72 -4.23 -1.17 -0.45 115.64 107.59 3hf9 s THR 41 Ca 0.35 -0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 3hf9 s THR 41 Cb 0.22 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 3hf9 s THR 41 CO 0.17 -0.41 0.14 0.00 -0.54 0.00 0.00 174.62 173.98 3hf9 s ALA 42 N -2.14 -0.24 -0.02 3.99 0.00 0.43 -0.94 121.76 122.84 3hf9 s ALA 42 Ca -0.08 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.58 3hf9 s ALA 42 Cb -0.03 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3hf9 s ALA 42 CO -0.01 -0.31 -0.17 0.95 0.00 0.00 0.00 175.76 176.22 3hf9 s THR 43 N -2.29 1.34 -0.03 0.00 -4.23 0.28 -1.18 115.64 109.52 3hf9 s THR 43 Ca -0.07 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.79 3hf9 s THR 43 Cb -0.03 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 3hf9 s THR 43 CO -0.03 0.38 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.38 3hf9 s GLY 44 N -0.28 1.35 -0.08 3.99 0.00 -0.61 -1.40 107.32 110.28 3hf9 s GLY 44 Ca 0.04 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3hf9 s GLY 44 CO -0.00 -0.84 -0.17 -0.42 0.00 0.00 0.00 173.10 171.67 3hf9 s ILE 45 N -0.56 1.53 -1.49 0.90 1.09 -1.11 -0.65 121.20 120.91 3hf9 s ILE 45 Ca 0.08 -0.71 -0.11 0.00 -1.10 0.00 0.00 60.65 58.81 3hf9 s ILE 45 Cb -0.11 -1.35 0.02 0.00 -1.06 0.00 0.00 42.46 39.96 3hf9 s ILE 45 CO 0.00 0.44 2.47 0.00 -0.10 0.00 0.00 174.94 177.75 3hf9 n ALA 46 N 3.67 6.37 -3.00 9.38 0.00 -1.26 -4.80 120.51 130.87 3hf9 n ALA 46 Ca -0.21 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.40 3hf9 n ALA 46 Cb 0.52 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.63 3hf9 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 47 N 3.53 5.00 3.65 0.00 0.00 -1.26 -4.91 105.19 111.20 3hf9 n GLY 47 Ca 0.61 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 3hf9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 48 N -1.16 2.31 0.22 2.61 -4.23 -1.26 -4.80 115.64 109.33 3hf9 s THR 48 Ca 0.00 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.53 3hf9 s THR 48 Cb 0.00 -2.27 0.16 0.00 1.34 0.00 0.00 72.50 71.73 3hf9 s THR 48 CO 0.00 -0.13 1.81 0.00 -0.54 0.00 0.00 174.62 175.76 3hf9 h ALA 49 N -1.91 0.94 -0.31 3.99 0.00 -1.96 -2.70 119.26 117.30 3hf9 h ALA 49 Ca -0.49 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3hf9 h ALA 49 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hf9 h ALA 49 CO 0.47 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.87 3hf9 h ALA 50 N 1.37 0.41 -0.55 0.00 0.00 -1.93 -2.87 119.26 115.69 3hf9 h ALA 50 Ca 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hf9 h ALA 50 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 50 CO -0.20 0.05 0.33 0.28 0.00 0.00 0.00 179.25 179.71 3hf9 h VAL 51 N 0.35 1.17 -0.63 0.00 2.07 -1.88 0.16 116.25 117.49 3hf9 h VAL 51 Ca 0.10 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3hf9 h VAL 51 Cb 0.25 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3hf9 h VAL 51 CO -0.00 0.18 0.19 0.00 0.02 0.00 0.00 177.57 177.95 3hf9 h ALA 52 N 1.16 1.15 0.20 1.67 0.00 -1.41 -2.18 119.26 119.85 3hf9 h ALA 52 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 52 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hf9 h ALA 52 CO -0.04 0.59 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 3hf9 h VAL 53 N 0.93 0.52 -0.72 0.00 2.07 -1.26 -2.91 116.25 114.87 3hf9 h VAL 53 Ca 0.21 -1.02 0.18 0.00 0.82 0.00 0.00 66.70 66.88 3hf9 h VAL 53 Cb 0.28 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3hf9 h VAL 53 CO -0.01 0.14 0.50 -0.33 0.02 0.00 0.00 177.57 177.90 3hf9 h GLU 54 N -0.98 0.19 0.11 1.57 4.39 -0.70 0.53 114.58 119.70 3hf9 h GLU 54 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3hf9 h GLU 54 Cb 0.44 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3hf9 h GLU 54 CO 0.05 0.13 -0.05 0.35 -1.16 0.00 0.00 179.01 178.32 3hf9 h PHE 55 N 0.20 -0.14 -0.52 4.33 3.04 -1.50 -2.35 116.94 120.01 3hf9 h PHE 55 Ca 0.35 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.40 3hf9 h PHE 55 Cb 1.10 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.57 3hf9 h PHE 55 CO -0.00 0.23 0.06 0.00 -2.02 0.00 0.00 178.31 176.58 3hf9 h ALA 56 N -0.59 0.56 -0.55 2.41 0.00 -1.24 -0.59 119.26 119.26 3hf9 h ALA 56 Ca -0.02 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3hf9 h ALA 56 Cb 0.43 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 3hf9 h ALA 56 CO 0.02 -0.35 -0.22 -0.09 0.00 0.00 0.00 179.25 178.62 3hf9 h ARG 57 N 0.18 -0.08 -0.09 0.00 2.43 0.00 0.10 114.38 116.92 3hf9 h ARG 57 Ca 0.27 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3hf9 h ARG 57 Cb 0.39 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hf9 h ARG 57 CO -0.39 -0.05 0.03 1.25 -1.51 0.00 0.00 179.97 179.30 3hf9 h LEU 58 N -0.08 0.13 -0.68 3.80 5.85 -0.83 -1.51 115.31 121.98 3hf9 h LEU 58 Ca 0.25 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3hf9 h LEU 58 Cb 0.48 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3hf9 h LEU 58 CO -0.61 0.27 0.40 0.22 -0.34 0.00 0.00 178.44 178.38 3hf9 h TYR 59 N -0.02 0.74 -0.75 1.25 3.20 -0.39 -0.65 116.97 120.36 3hf9 h TYR 59 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3hf9 h TYR 59 Cb 0.18 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3hf9 h TYR 59 CO -0.01 0.38 0.34 0.00 -1.64 0.00 0.00 178.16 177.23 3hf9 h ALA 60 N 1.33 0.97 -0.31 1.82 0.00 -0.59 -0.93 119.26 121.55 3hf9 h ALA 60 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 60 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hf9 h ALA 60 CO -0.15 0.55 0.17 0.28 0.00 0.00 0.00 179.25 180.11 3hf9 h VAL 61 N 1.06 1.12 0.10 0.00 2.07 -0.62 -1.67 116.25 118.32 3hf9 h VAL 61 Ca 0.25 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hf9 h VAL 61 Cb 0.15 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3hf9 h VAL 61 CO -0.03 0.12 -0.20 -0.33 0.02 0.00 0.00 177.57 177.15 3hf9 h GLU 62 N 0.38 -0.37 -0.42 1.57 5.08 -0.37 0.14 114.58 120.60 3hf9 h GLU 62 Ca 0.11 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3hf9 h GLU 62 Cb 0.04 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3hf9 h GLU 62 CO -0.02 -0.24 0.03 -0.07 -1.00 0.00 0.00 179.01 177.71 3hf9 h LEU 63 N -0.38 -0.10 -0.23 1.33 3.38 -1.01 -0.93 115.31 117.37 3hf9 h LEU 63 Ca 0.03 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3hf9 h LEU 63 Cb 0.40 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hf9 h LEU 63 CO -0.12 -0.02 -0.33 -0.08 0.09 0.00 0.00 178.44 177.98 3hf9 h GLU 64 N 0.15 0.63 -0.73 1.13 4.81 -1.18 -2.60 114.58 116.80 3hf9 h GLU 64 Ca 0.21 -0.37 0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3hf9 h GLU 64 Cb 0.28 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.56 3hf9 h GLU 64 CO -0.32 0.98 -0.35 1.25 -0.73 0.00 0.00 179.01 179.84 3hf9 h HIS 65 N 0.33 -0.98 -0.43 0.92 2.76 -0.41 0.85 115.15 118.19 3hf9 h HIS 65 Ca 0.02 0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3hf9 h HIS 65 Cb 0.92 0.54 -0.04 0.00 1.55 0.00 0.00 27.41 30.37 3hf9 h HIS 65 CO 0.08 -0.39 0.20 -0.92 -1.30 0.00 0.00 177.93 175.60 3hf9 h TYR 66 N -0.11 0.37 -0.72 5.26 3.20 -1.05 -1.99 116.97 121.93 3hf9 h TYR 66 Ca 0.27 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 3hf9 h TYR 66 Cb 0.57 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3hf9 h TYR 66 CO -0.72 0.18 0.28 1.49 -1.64 0.00 0.00 178.16 177.75 3hf9 h GLU 67 N 0.41 1.07 -0.47 1.82 4.81 -0.88 -0.00 114.58 121.33 3hf9 h GLU 67 Ca 0.19 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3hf9 h GLU 67 Cb 0.11 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3hf9 h GLU 67 CO -0.14 0.87 -0.01 0.87 -0.73 0.00 0.00 179.01 179.86 3hf9 h LYS 68 N 1.04 0.79 -0.19 1.92 1.57 -0.60 0.98 116.57 122.09 3hf9 h LYS 68 Ca 0.24 -0.22 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 3hf9 h LYS 68 Cb 0.21 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hf9 h LYS 68 CO -0.02 0.81 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.97 3hf9 h LEU 69 N 0.74 0.75 -1.69 2.94 3.38 -0.76 -3.36 115.31 117.31 3hf9 h LEU 69 Ca 0.14 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hf9 h LEU 69 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hf9 h LEU 69 CO 0.02 1.20 0.00 -0.62 0.09 0.00 0.00 178.44 179.13 3hf9 n GLU 70 N -3.94 0.91 0.00 1.13 -0.58 -0.07 -4.99 120.64 113.10 3hf9 n GLU 70 Ca -0.05 -1.29 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 3hf9 n GLU 70 Cb 0.66 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 3hf9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hf9 n GLY 71 N 0.55 2.73 3.37 0.62 0.00 0.33 -4.95 105.19 107.84 3hf9 n GLY 71 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -0.48 1.51 0.64 1.61 -7.23 -1.24 -4.95 120.40 110.26 3hf9 s VAL 72 Ca 0.00 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 57.91 3hf9 s VAL 72 Cb 0.00 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3hf9 s VAL 72 CO 0.00 -0.43 1.05 -2.84 -0.31 0.00 0.00 175.10 172.57 3hf9 s PRO 73 N -3.73 3.18 0.64 4.82 0.02 -1.26 -3.87 135.00 134.79 3hf9 s PRO 73 Ca 0.26 1.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.16 3hf9 s PRO 73 Cb 0.03 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 3hf9 s PRO 73 CO 0.09 -0.91 1.21 -0.51 -0.33 0.00 0.00 177.00 176.54 3hf9 s LEU 74 N -5.00 3.54 0.95 -5.54 1.43 -1.26 -5.01 118.68 107.79 3hf9 s LEU 74 Ca 0.60 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.96 3hf9 s LEU 74 Cb -0.14 -4.59 0.16 0.00 0.03 0.00 0.00 46.19 41.65 3hf9 s LEU 74 CO 0.46 -1.81 1.09 0.42 0.23 0.00 0.00 176.35 176.74 3hf9 s THR 75 N -1.74 2.43 0.14 5.49 -4.23 -1.26 -4.70 115.64 111.77 3hf9 s THR 75 Ca 0.76 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 61.23 3hf9 s THR 75 Cb -0.30 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 3hf9 s THR 75 CO 0.37 -0.18 1.72 0.15 -0.54 0.00 0.00 174.62 176.15 3hf9 h PHE 76 N -1.83 0.04 -0.74 3.99 3.57 -1.96 -0.48 116.94 119.53 3hf9 h PHE 76 Ca -0.51 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.18 3hf9 h PHE 76 Cb 1.29 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 39.93 3hf9 h PHE 76 CO 0.41 -0.01 0.02 0.00 -2.23 0.00 0.00 178.31 176.50 3hf9 h ALA 77 N 1.22 0.79 -0.40 2.41 0.00 -2.00 0.15 119.26 121.42 3hf9 h ALA 77 Ca 0.13 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3hf9 h ALA 77 Cb 0.15 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hf9 h ALA 77 CO -0.19 -0.42 0.15 0.78 0.00 0.00 0.00 179.25 179.57 3hf9 h GLY 78 N 0.12 0.52 0.36 0.00 0.00 -1.48 0.35 103.07 102.94 3hf9 h GLY 78 Ca 0.41 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.73 3hf9 h GLY 78 CO -0.64 0.03 0.09 0.50 0.00 0.00 0.00 176.54 176.53 3hf9 h LYS 79 N 0.32 0.22 -0.60 4.80 1.57 0.56 -0.85 116.57 122.59 3hf9 h LYS 79 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3hf9 h LYS 79 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3hf9 h LYS 79 CO -0.18 0.15 0.32 0.82 -0.57 0.00 0.00 179.45 179.99 3hf9 h ILE 80 N 0.23 1.20 0.32 1.86 2.04 -0.60 -1.59 117.51 120.96 3hf9 h ILE 80 Ca 0.25 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3hf9 h ILE 80 Cb 0.33 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3hf9 h ILE 80 CO -0.33 0.22 -0.21 -1.13 0.00 0.00 0.00 178.15 176.70 3hf9 h ASN 81 N 0.81 -0.53 -0.91 1.72 -1.24 0.36 0.26 115.58 116.06 3hf9 h ASN 81 Ca 0.21 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.35 3hf9 h ASN 81 Cb 0.06 0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 3hf9 h ASN 81 CO -0.03 -0.33 0.55 0.03 -1.29 0.00 0.00 177.43 176.35 3hf9 h ARG 82 N -0.52 0.88 0.32 6.67 2.47 -1.19 -0.27 114.38 122.74 3hf9 h ARG 82 Ca -0.03 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3hf9 h ARG 82 Cb 0.43 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3hf9 h ARG 82 CO 0.02 0.58 -0.25 1.25 0.56 0.00 0.00 179.97 182.13 3hf9 h LEU 83 N 0.90 -0.66 -0.55 3.04 6.46 -0.39 -0.00 115.31 124.11 3hf9 h LEU 83 Ca 0.44 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.31 3hf9 h LEU 83 Cb 0.39 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.48 3hf9 h LEU 83 CO -0.25 -0.38 0.24 0.00 -0.62 0.00 0.00 178.44 177.43 3hf9 h ALA 84 N 0.02 0.71 -0.57 1.25 0.00 0.04 0.11 119.26 120.81 3hf9 h ALA 84 Ca -0.02 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 84 Cb 0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3hf9 h ALA 84 CO -0.01 -0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.20 3hf9 h ILE 85 N 0.46 0.91 -0.54 0.00 2.04 -0.92 0.28 117.51 119.75 3hf9 h ILE 85 Ca 0.26 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3hf9 h ILE 85 Cb 0.24 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3hf9 h ILE 85 CO -0.22 0.09 0.30 -0.03 0.00 0.00 0.00 178.15 178.29 3hf9 h MET 86 N 0.52 0.75 -0.06 2.37 4.05 0.05 -0.51 114.93 122.10 3hf9 h MET 86 Ca 0.26 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hf9 h MET 86 Cb 0.21 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3hf9 h MET 86 CO -0.20 0.58 0.02 0.28 0.23 0.00 0.00 176.91 177.82 3hf9 h VAL 87 N 0.73 1.16 -0.29 -5.77 2.07 -0.12 -2.53 116.25 111.49 3hf9 h VAL 87 Ca 0.19 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hf9 h VAL 87 Cb 0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3hf9 h VAL 87 CO -0.03 0.14 0.19 0.03 0.02 0.00 0.00 177.57 177.92 3hf9 h ARG 88 N -0.09 0.38 -0.67 1.57 3.08 -0.36 -2.21 114.38 116.08 3hf9 h ARG 88 Ca 0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hf9 h ARG 88 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3hf9 h ARG 88 CO -0.00 0.25 0.45 0.78 -1.07 0.00 0.00 179.97 180.38 3hf9 h GLY 89 N 0.40 0.95 1.49 0.04 0.00 -0.68 -2.36 103.07 102.90 3hf9 h GLY 89 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3hf9 h GLY 89 CO -0.02 0.35 -0.50 3.43 0.00 0.00 0.00 176.54 179.79 3hf9 h ASN 90 N 0.91 0.00 1.06 0.19 2.35 -1.09 -3.24 115.58 115.77 3hf9 h ASN 90 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3hf9 h ASN 90 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3hf9 h ASN 90 CO -0.05 0.01 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.03 3hf9 h LEU 91 N 0.00 0.00 -0.00 1.61 3.38 -1.22 -3.36 115.31 115.72 3hf9 h LEU 91 Ca 0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hf9 h LEU 91 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 3hf9 h LEU 91 CO 0.00 0.06 -0.33 0.00 0.09 0.00 0.00 178.44 178.25 3hf9 h ALA 92 N 2.30 0.04 -0.03 1.53 0.00 -1.46 -3.52 119.26 118.14 3hf9 h ALA 92 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hf9 h ALA 92 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hf9 h ALA 92 CO 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 3hf9 n ALA 93 N -2.55 2.57 -2.78 0.00 0.00 -1.25 -5.14 120.51 111.36 3hf9 n ALA 93 Ca -0.10 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.42 3hf9 n ALA 93 Cb 0.55 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 3hf9 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 99 N 1.07 4.46 -4.41 0.00 4.77 -1.26 -5.00 117.00 116.63 3hf9 n LEU 99 Ca 0.14 -5.49 -0.44 0.00 -0.03 0.00 0.00 56.01 50.19 3hf9 n LEU 99 Cb 0.56 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3hf9 n LEU 99 CO 0.16 2.31 0.66 0.00 -1.33 0.00 0.00 177.39 179.19 3hf9 s ALA 100 N -3.48 3.37 -0.32 -1.18 0.00 -1.26 -5.03 121.76 113.87 3hf9 s ALA 100 Ca 0.48 -2.35 -0.14 0.00 0.00 0.00 0.00 51.96 49.96 3hf9 s ALA 100 Cb 0.33 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3hf9 s ALA 100 CO -0.15 -2.64 0.30 -0.51 0.00 0.00 0.00 175.76 172.76 3hf9 s LEU 101 N 2.89 4.29 0.69 0.00 2.01 -1.26 -5.00 118.68 122.29 3hf9 s LEU 101 Ca 0.21 -0.13 -0.11 0.00 0.01 0.00 0.00 54.13 54.11 3hf9 s LEU 101 Cb -0.16 -2.26 0.00 0.00 0.01 0.00 0.00 46.19 43.78 3hf9 s LEU 101 CO 0.02 -0.23 1.06 -2.84 1.01 0.00 0.00 176.35 175.37 3hf9 s PRO 102 N 1.91 3.00 -0.11 1.29 0.02 -1.26 -4.33 135.00 135.51 3hf9 s PRO 102 Ca 0.10 0.86 0.01 0.00 0.02 0.00 0.00 61.00 61.99 3hf9 s PRO 102 Cb -0.16 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3hf9 s PRO 102 CO 0.11 -1.03 -0.13 -1.17 -0.33 0.00 0.00 177.00 174.45 3hf9 s LEU 103 N -5.48 1.57 -0.14 -5.54 0.20 0.18 -3.10 118.68 106.37 3hf9 s LEU 103 Ca 0.58 -0.39 -0.02 0.00 0.69 0.00 0.00 54.13 54.98 3hf9 s LEU 103 Cb -0.13 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.59 3hf9 s LEU 103 CO 0.55 -0.03 -0.06 -0.22 -0.29 0.00 0.00 176.35 176.30 3hf9 s LEU 104 N 1.21 3.14 -0.01 -0.68 2.96 0.12 -1.57 118.68 123.85 3hf9 s LEU 104 Ca -0.03 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3hf9 s LEU 104 Cb -0.14 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hf9 s LEU 104 CO -0.04 0.19 -0.25 0.00 -1.32 0.00 0.00 176.35 174.93 3hf9 s ALA 105 N 0.20 2.09 0.29 5.97 0.00 -0.33 -0.67 121.76 129.32 3hf9 s ALA 105 Ca -0.03 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 3hf9 s ALA 105 Cb -0.14 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3hf9 s ALA 105 CO 0.03 0.51 0.69 0.20 0.00 0.00 0.00 175.76 177.20 3hf9 s GLY 106 N -0.65 0.05 -0.09 0.00 0.00 -0.35 -0.43 107.32 105.85 3hf9 s GLY 106 Ca 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.39 3hf9 s GLY 106 CO -0.01 -0.19 -0.09 -0.47 0.00 0.00 0.00 173.10 172.34 3hf9 s TYR 107 N -3.78 1.45 -0.53 1.90 5.04 0.40 -0.55 117.35 121.27 3hf9 s TYR 107 Ca 0.13 -0.65 -0.19 0.00 -2.44 0.00 0.00 57.07 53.93 3hf9 s TYR 107 Cb -0.05 -1.15 0.08 0.00 0.35 0.00 0.00 41.96 41.19 3hf9 s TYR 107 CO 0.08 -0.41 0.62 0.34 -1.34 0.00 0.00 175.55 174.84 3hf9 s ASP 108 N 1.29 6.20 0.26 4.32 2.15 -0.49 -4.83 116.67 125.57 3hf9 s ASP 108 Ca -0.03 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.78 3hf9 s ASP 108 Cb -0.14 -2.28 0.35 0.00 -0.30 0.00 0.00 42.92 40.55 3hf9 s ASP 108 CO -0.03 -0.94 1.71 0.16 -0.17 0.00 0.00 175.17 175.89 3hf9 h ILE 109 N 5.87 1.26 0.00 4.11 3.07 -1.97 -2.21 117.51 127.64 3hf9 h ILE 109 Ca -0.28 -1.23 0.00 0.00 1.55 0.00 0.00 64.86 64.89 3hf9 h ILE 109 Cb 1.09 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 3hf9 h ILE 109 CO 1.00 0.40 0.00 1.41 -1.05 0.00 0.00 178.15 179.92 3hf9 n HIS 110 N -4.14 0.00 -2.51 0.16 8.25 -1.26 -4.80 115.22 110.92 3hf9 n HIS 110 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3hf9 n HIS 110 Cb 0.39 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 3hf9 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 111 N -2.19 3.37 0.14 -1.41 0.00 -0.83 -4.95 121.76 115.89 3hf9 s ALA 111 Ca 0.12 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.69 3hf9 s ALA 111 Cb 0.06 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3hf9 s ALA 111 CO 0.12 -0.20 1.67 0.66 0.00 0.00 0.00 175.76 178.00 3hf9 h SER 112 N 4.97 -0.47 -3.54 0.00 4.64 -1.89 -3.39 113.55 113.87 3hf9 h SER 112 Ca -0.45 0.10 -0.71 0.00 -0.47 0.00 0.00 61.79 60.26 3hf9 h SER 112 Cb 1.21 0.23 -0.23 0.00 -0.31 0.00 0.00 62.40 63.31 3hf9 h SER 112 CO 0.72 -0.19 -0.47 -0.62 -0.87 0.00 0.00 176.83 175.40 3hf9 s ASP 113 N -5.09 5.91 0.46 4.97 3.68 -1.26 -4.97 116.67 120.38 3hf9 s ASP 113 Ca -0.14 -0.97 0.32 0.00 2.13 0.00 0.00 52.55 53.89 3hf9 s ASP 113 Cb 0.11 -2.09 1.43 0.00 -1.45 0.00 0.00 42.92 40.93 3hf9 s ASP 113 CO 0.68 -0.42 1.94 -0.65 0.13 0.00 0.00 175.17 176.85 3hf9 h PRO 114 N 8.53 0.00 -0.36 4.34 0.11 -1.95 -2.76 132.00 139.91 3hf9 h PRO 114 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3hf9 h PRO 114 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 114 CO 0.70 0.00 -0.03 1.96 -0.21 0.00 0.00 178.00 180.41 3hf9 h GLN 115 N 0.00 0.66 -1.13 1.05 1.08 -1.93 -3.26 115.11 111.58 3hf9 h GLN 115 Ca 0.00 -0.23 -0.62 0.00 -1.45 0.00 0.00 58.65 56.35 3hf9 h GLN 115 Cb 0.32 -0.05 -0.37 0.00 -0.05 0.00 0.00 27.48 27.33 3hf9 h GLN 115 CO 0.00 0.79 -0.12 -1.13 -0.95 0.00 0.00 178.83 177.42 3hf9 n SER 116 N -4.45 5.94 -0.31 1.46 3.41 -1.05 0.14 113.62 118.76 3hf9 n SER 116 Ca -0.02 -3.77 0.14 0.00 -0.26 0.00 0.00 58.87 54.96 3hf9 n SER 116 Cb 0.30 -0.62 0.47 0.00 -0.26 0.00 0.00 64.21 64.10 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.70 2.85 -1.77 7.33 0.00 -1.15 -4.88 120.51 122.20 3hf9 n ALA 117 Ca 0.49 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hf9 n ALA 117 Cb 0.73 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 3hf9 n ALA 117 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf9 s GLY 118 N -2.30 2.89 -0.01 0.00 0.00 -1.26 -1.40 107.32 105.23 3hf9 s GLY 118 Ca 0.30 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.18 3hf9 s GLY 118 CO 0.44 1.69 -0.05 0.50 0.00 0.00 0.00 173.10 175.68 3hf9 s ARG 119 N -2.34 0.52 -0.07 2.90 1.81 0.29 -4.91 118.95 117.15 3hf9 s ARG 119 Ca 0.58 -0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.45 3hf9 s ARG 119 Cb -0.35 -0.53 0.02 0.00 -0.45 0.00 0.00 34.95 33.64 3hf9 s ARG 119 CO 0.45 0.06 -0.09 0.42 -0.68 0.00 0.00 175.30 175.45 3hf9 s ILE 120 N 0.19 0.96 -0.06 1.52 1.01 -1.26 -1.22 121.20 122.34 3hf9 s ILE 120 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hf9 s ILE 120 Cb -0.06 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3hf9 s ILE 120 CO -0.00 0.32 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 3hf9 s VAL 121 N 0.90 0.98 0.34 2.92 1.01 0.16 -1.58 120.40 125.13 3hf9 s VAL 121 Ca -0.11 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3hf9 s VAL 121 Cb -0.15 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 3hf9 s VAL 121 CO 0.01 0.32 0.01 -0.94 0.00 0.00 0.00 175.10 174.50 3hf9 s SER 122 N 0.75 2.92 0.04 3.32 1.04 -0.74 0.13 113.70 121.16 3hf9 s SER 122 Ca -0.13 -1.32 0.08 0.00 0.48 0.00 0.00 55.95 55.05 3hf9 s SER 122 Cb -0.15 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 3hf9 s SER 122 CO 0.03 -0.49 -0.22 -0.36 0.98 0.00 0.00 173.24 173.18 3hf9 s PHE 123 N -3.05 1.93 0.76 5.02 0.40 -1.18 -1.72 117.98 120.15 3hf9 s PHE 123 Ca 0.34 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 3hf9 s PHE 123 Cb 0.08 -1.15 0.12 0.00 0.51 0.00 0.00 43.02 42.57 3hf9 s PHE 123 CO 0.15 0.10 1.06 0.16 0.70 0.00 0.00 175.22 177.40 3hf9 s ASP 124 N -1.19 4.23 0.48 1.36 1.47 -0.27 -4.82 116.67 117.93 3hf9 s ASP 124 Ca 0.08 0.01 0.29 0.00 1.18 0.00 0.00 52.55 54.12 3hf9 s ASP 124 Cb -0.09 -0.41 1.37 0.00 -0.34 0.00 0.00 42.92 43.45 3hf9 s ASP 124 CO 0.02 -1.96 1.78 0.00 0.68 0.00 0.00 175.17 175.68 3hf9 h ALA 125 N -0.77 2.76 -0.65 2.11 0.00 -2.01 -1.32 119.26 119.38 3hf9 h ALA 125 Ca -0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hf9 h ALA 125 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hf9 h ALA 125 CO 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 179.25 178.56 3hf9 n ALA 126 N -2.64 2.64 -0.92 0.00 0.00 -1.26 -4.93 120.51 113.40 3hf9 n ALA 126 Ca 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3hf9 n ALA 126 Cb 1.13 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3hf9 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 127 N 1.26 0.45 3.75 0.00 0.00 -0.50 -4.98 105.19 105.17 3hf9 n GLY 127 Ca 0.23 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3hf9 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 128 N -2.73 2.54 0.69 -0.02 0.00 -1.26 -4.64 107.32 101.90 3hf9 s GLY 128 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 3hf9 s GLY 128 CO 0.00 0.80 1.06 0.66 0.00 0.00 0.00 173.10 175.62 3hf9 s TRP 129 N 0.19 3.27 -0.28 1.90 1.48 -1.26 -1.11 118.94 123.12 3hf9 s TRP 129 Ca 0.30 0.92 -0.12 0.00 -1.06 0.00 0.00 56.10 56.15 3hf9 s TRP 129 Cb -0.17 -3.05 0.11 0.00 -1.16 0.00 0.00 33.47 29.20 3hf9 s TRP 129 CO 0.15 -1.17 0.64 1.21 -4.06 0.00 0.00 176.95 173.72 3hf9 s ASN 130 N -4.37 -1.01 -0.01 -2.66 3.04 -0.70 -4.90 114.94 104.33 3hf9 s ASN 130 Ca 0.58 1.50 -0.19 0.00 0.04 0.00 0.00 52.86 54.79 3hf9 s ASN 130 Cb -0.11 1.88 -0.05 0.00 -1.54 0.00 0.00 41.25 41.42 3hf9 s ASN 130 CO 0.50 -0.23 0.53 -0.63 -3.04 0.00 0.00 177.10 174.23 3hf9 s ILE 131 N 2.39 4.96 -0.34 -5.21 1.01 -1.26 -1.79 121.20 120.95 3hf9 s ILE 131 Ca -0.07 1.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 3hf9 s ILE 131 Cb -0.09 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 3hf9 s ILE 131 CO -0.19 0.46 0.61 -1.61 0.00 0.00 0.00 174.94 174.22 3hf9 s GLU 132 N -0.39 3.72 0.00 2.79 0.41 -0.61 -4.89 118.70 119.73 3hf9 s GLU 132 Ca 0.28 0.07 0.16 0.00 -0.41 0.00 0.00 54.97 55.07 3hf9 s GLU 132 Cb -0.17 -3.79 0.11 0.00 -1.78 0.00 0.00 34.13 28.49 3hf9 s GLU 132 CO 0.15 -0.68 0.98 0.39 -0.49 0.00 0.00 175.26 175.61 3hf9 n GLU 133 N 5.96 1.28 0.00 1.61 1.02 -1.26 -4.30 120.64 124.94 3hf9 n GLU 133 Ca -0.02 -1.36 0.13 0.00 -0.02 0.00 0.00 57.16 55.89 3hf9 n GLU 133 Cb 0.49 -1.30 0.50 0.00 -0.02 0.00 0.00 31.44 31.11 3hf9 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hf9 n GLU 134 N 0.76 0.12 0.00 3.49 1.02 -1.26 -4.95 120.64 119.82 3hf9 n GLU 134 Ca 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3hf9 n GLU 134 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3hf9 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 135 N 1.46 3.22 3.25 0.62 0.00 -1.26 -5.02 105.19 107.45 3hf9 n GLY 135 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.85 1.01 0.03 1.61 1.13 -1.26 -0.20 117.35 116.82 3hf9 s TYR 136 Ca 0.00 -1.27 -0.28 0.00 -1.41 0.00 0.00 57.07 54.11 3hf9 s TYR 136 Cb 0.00 -0.45 0.09 0.00 -1.10 0.00 0.00 41.96 40.51 3hf9 s TYR 136 CO 0.00 -0.68 0.93 -1.14 -2.51 0.00 0.00 175.55 172.15 3hf9 s GLN 137 N -4.13 0.88 -0.08 -3.49 2.00 -0.30 -4.94 119.66 109.61 3hf9 s GLN 137 Ca 0.35 -0.38 -0.29 0.00 -2.00 0.00 0.00 55.36 53.04 3hf9 s GLN 137 Cb 0.06 0.37 0.07 0.00 0.80 0.00 0.00 33.01 34.31 3hf9 s GLN 137 CO 0.10 -0.39 0.66 0.00 -0.50 0.00 0.00 175.29 175.17 3hf9 s ALA 138 N -3.12 -1.72 0.12 1.58 0.00 -1.26 -1.17 121.76 116.20 3hf9 s ALA 138 Ca 0.07 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3hf9 s ALA 138 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3hf9 s ALA 138 CO -0.06 -0.36 -0.04 0.14 0.00 0.00 0.00 175.76 175.44 3hf9 s VAL 139 N -0.97 0.70 0.00 0.00 -7.23 -0.58 -4.87 120.40 107.45 3hf9 s VAL 139 Ca -0.10 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3hf9 s VAL 139 Cb -0.01 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.09 3hf9 s VAL 139 CO 0.08 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 3hf9 n GLY 140 N -0.11 1.10 0.28 2.32 0.00 -1.26 -1.21 105.19 106.30 3hf9 n GLY 140 Ca -0.10 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.77 3hf9 n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 141 N 0.00 0.46 -0.42 1.61 4.64 -1.96 -1.77 113.55 116.11 3hf9 h SER 141 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hf9 h SER 141 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hf9 h SER 141 CO 0.00 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 3hf9 n GLY 142 N -1.01 1.99 0.29 -0.77 0.00 -1.26 -4.43 105.19 99.99 3hf9 n GLY 142 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.47 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 2.70 0.52 -0.29 1.61 4.64 -1.54 -1.80 113.55 119.39 3hf9 h SER 143 Ca 0.00 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3hf9 h SER 143 Cb 1.14 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3hf9 h SER 143 CO 0.19 0.51 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.59 3hf9 h LEU 144 N 0.56 0.51 -0.55 5.97 3.38 -1.82 -0.70 115.31 122.67 3hf9 h LEU 144 Ca 0.13 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3hf9 h LEU 144 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hf9 h LEU 144 CO -0.01 0.70 -0.01 -0.26 0.09 0.00 0.00 178.44 178.95 3hf9 h PHE 145 N 0.31 1.07 0.31 1.13 0.04 -1.82 -1.60 116.94 116.38 3hf9 h PHE 145 Ca 0.08 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3hf9 h PHE 145 Cb 0.44 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3hf9 h PHE 145 CO 0.04 0.98 -0.15 0.00 -0.60 0.00 0.00 178.31 178.57 3hf9 h ALA 146 N 0.95 -0.42 -0.51 2.45 0.00 -1.15 -0.44 119.26 120.14 3hf9 h ALA 146 Ca 0.15 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 146 Cb 0.56 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 3hf9 h ALA 146 CO 0.03 -0.67 -0.05 0.87 0.00 0.00 0.00 179.25 179.43 3hf9 h LYS 147 N -0.55 0.06 0.00 0.00 1.57 -1.12 -0.01 116.57 116.53 3hf9 h LYS 147 Ca -0.04 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3hf9 h LYS 147 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3hf9 h LYS 147 CO 0.07 0.04 -0.23 0.77 -0.57 0.00 0.00 179.45 179.53 3hf9 h SER 148 N 0.06 0.00 -0.17 0.86 0.02 -1.03 -0.02 113.55 113.28 3hf9 h SER 148 Ca 0.26 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 3hf9 h SER 148 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hf9 h SER 148 CO -0.47 0.23 -0.40 -1.28 -1.14 0.00 0.00 176.83 173.76 3hf9 h SER 149 N 0.00 0.64 0.13 3.07 0.87 -0.32 -3.16 113.55 114.80 3hf9 h SER 149 Ca -0.00 -0.57 -0.05 0.00 -1.23 0.00 0.00 61.79 59.93 3hf9 h SER 149 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3hf9 h SER 149 CO 0.03 1.10 -0.20 0.24 -0.53 0.00 0.00 176.83 177.47 3hf9 h MET 150 N 0.22 0.14 -0.85 2.24 2.07 0.12 -1.79 114.93 117.07 3hf9 h MET 150 Ca -0.00 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.68 3hf9 h MET 150 Cb 1.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.67 3hf9 h MET 150 CO 0.09 0.34 0.55 -0.22 1.07 0.00 0.00 176.91 178.74 3hf9 h LYS 151 N 0.13 0.84 0.00 1.72 3.64 -1.01 0.25 116.57 122.14 3hf9 h LYS 151 Ca 0.02 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 3hf9 h LYS 151 Cb 0.44 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3hf9 h LYS 151 CO 0.03 0.55 -1.28 0.87 -2.27 0.00 0.00 179.45 177.35 3hf9 h LYS 152 N 0.86 0.00 0.00 1.90 1.79 -1.41 -3.37 116.57 116.35 3hf9 h LYS 152 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 3hf9 h LYS 152 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3hf9 h LYS 152 CO -0.15 0.74 -1.10 1.28 -1.08 0.00 0.00 179.45 179.14 3hf9 n LEU 153 N -3.20 0.73 -0.24 2.94 4.77 -0.60 -4.47 117.00 116.93 3hf9 n LEU 153 Ca -0.07 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.57 3hf9 n LEU 153 Cb 0.97 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 42.11 3hf9 n LEU 153 CO 0.46 0.16 1.00 0.22 -1.33 0.00 0.00 177.39 177.89 3hf9 h TYR 154 N 0.00 1.12 -1.63 -1.77 3.20 -0.71 -1.19 116.97 115.99 3hf9 h TYR 154 Ca 0.00 -0.11 0.48 0.00 3.14 0.00 0.00 58.73 62.24 3hf9 h TYR 154 Cb 0.62 -0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3hf9 h TYR 154 CO 0.00 0.88 1.17 0.66 -1.64 0.00 0.00 178.16 179.23 3hf9 h SER 155 N 1.04 0.02 0.09 -2.11 4.64 -1.83 0.19 113.55 115.58 3hf9 h SER 155 Ca 0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hf9 h SER 155 Cb 0.29 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hf9 h SER 155 CO -0.01 -0.01 -0.01 0.00 -0.87 0.00 0.00 176.83 175.93 3hf9 n GLN 156 N -4.08 1.06 -2.90 4.77 6.02 -0.45 -4.83 117.38 116.97 3hf9 n GLN 156 Ca 0.37 -0.24 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 3hf9 n GLN 156 Cb 1.68 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 31.40 3hf9 n GLN 156 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 157 N -2.11 4.80 0.00 5.09 1.01 0.65 -4.83 120.40 125.02 3hf9 s VAL 157 Ca 0.42 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3hf9 s VAL 157 Cb 0.21 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3hf9 s VAL 157 CO 0.38 -0.17 0.00 0.35 0.00 0.00 0.00 175.10 175.67 3hf9 n THR 158 N 5.41 0.00 -4.15 3.92 -2.24 -1.26 -4.86 114.28 111.10 3hf9 n THR 158 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 3hf9 n THR 158 Cb 0.48 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3hf9 n THR 158 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 159 N -1.25 -0.01 0.22 3.42 5.75 -1.26 -4.42 116.55 119.00 3hf9 n ASP 159 Ca 0.00 -1.97 0.08 0.00 -0.01 0.00 0.00 54.79 52.88 3hf9 n ASP 159 Cb 0.23 0.68 0.48 0.00 -1.03 0.00 0.00 41.12 41.48 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 0.87 0.00 0.80 6.12 0.00 -1.94 -1.85 103.07 107.07 3hf9 h GLY 160 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3hf9 h GLY 160 CO 0.17 0.00 -0.50 -1.80 0.00 0.00 0.00 176.54 174.41 3hf9 h ASP 161 N 0.00 0.54 -0.23 0.19 -0.00 -1.99 -1.85 116.42 113.08 3hf9 h ASP 161 Ca -0.00 -0.69 -0.14 0.00 -0.00 0.00 0.00 57.03 56.20 3hf9 h ASP 161 Cb 0.65 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.81 3hf9 h ASP 161 CO 0.04 1.14 -0.36 0.77 -0.00 0.00 0.00 179.24 180.83 3hf9 h SER 162 N -0.02 0.79 -0.68 2.28 4.64 -1.90 -2.06 113.55 116.60 3hf9 h SER 162 Ca -0.05 -0.34 0.12 0.00 -0.47 0.00 0.00 61.79 61.05 3hf9 h SER 162 Cb 1.17 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.95 3hf9 h SER 162 CO 0.10 1.07 0.23 1.23 -0.87 0.00 0.00 176.83 178.59 3hf9 h GLY 163 N 0.94 0.96 1.11 -0.77 0.00 -1.34 0.06 103.07 104.04 3hf9 h GLY 163 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3hf9 h GLY 163 CO 0.08 -0.08 0.21 -2.00 0.00 0.00 0.00 176.54 174.75 3hf9 h LEU 164 N 0.39 1.04 -0.00 3.11 6.46 -0.90 -1.23 115.31 124.17 3hf9 h LEU 164 Ca 0.36 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3hf9 h LEU 164 Cb 0.51 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3hf9 h LEU 164 CO -0.38 0.97 0.00 -0.09 -0.62 0.00 0.00 178.44 178.32 3hf9 h ARG 165 N 1.06 0.01 -0.48 1.25 2.43 -0.55 -1.73 114.38 116.37 3hf9 h ARG 165 Ca 0.23 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 3hf9 h ARG 165 Cb 0.31 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3hf9 h ARG 165 CO -0.01 0.29 0.13 0.28 -1.51 0.00 0.00 179.97 179.15 3hf9 h VAL 166 N -0.28 0.78 -0.57 0.20 2.07 -0.96 0.31 116.25 117.81 3hf9 h VAL 166 Ca 0.00 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3hf9 h VAL 166 Cb 0.29 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3hf9 h VAL 166 CO 0.00 0.05 0.25 0.00 0.02 0.00 0.00 177.57 177.89 3hf9 h ALA 167 N 1.35 0.74 -0.53 1.67 0.00 -1.14 0.11 119.26 121.45 3hf9 h ALA 167 Ca 0.23 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 167 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hf9 h ALA 167 CO -0.28 -0.13 -0.08 0.28 0.00 0.00 0.00 179.25 179.04 3hf9 h VAL 168 N 0.47 1.26 -0.61 0.00 2.07 -0.54 -2.20 116.25 116.71 3hf9 h VAL 168 Ca 0.27 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3hf9 h VAL 168 Cb 0.25 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hf9 h VAL 168 CO -0.23 0.43 0.16 -0.08 0.02 0.00 0.00 177.57 177.87 3hf9 h GLU 169 N 0.87 0.97 -0.82 1.57 4.81 0.19 -0.13 114.58 122.05 3hf9 h GLU 169 Ca 0.14 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3hf9 h GLU 169 Cb 0.62 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3hf9 h GLU 169 CO 0.04 0.88 0.49 0.00 -0.73 0.00 0.00 179.01 179.69 3hf9 h ALA 170 N 1.05 1.12 0.00 2.92 0.00 -0.68 0.26 119.26 123.93 3hf9 h ALA 170 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 170 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hf9 h ALA 170 CO -0.00 0.21 -0.38 -0.07 0.00 0.00 0.00 179.25 179.01 3hf9 h LEU 171 N 0.89 0.00 -0.11 0.00 3.38 -1.02 -0.53 115.31 117.93 3hf9 h LEU 171 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 3hf9 h LEU 171 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hf9 h LEU 171 CO -0.18 0.38 -0.21 0.22 0.09 0.00 0.00 178.44 178.74 3hf9 h TYR 172 N 0.00 0.42 -0.51 1.13 3.20 0.11 -2.21 116.97 119.10 3hf9 h TYR 172 Ca -0.00 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.73 3hf9 h TYR 172 Cb 0.89 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3hf9 h TYR 172 CO 0.00 0.82 0.34 -0.44 -1.64 0.00 0.00 178.16 177.23 3hf9 h ASP 173 N -0.10 0.57 0.11 -2.11 3.32 -0.17 -1.27 116.42 116.77 3hf9 h ASP 173 Ca 0.00 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 3hf9 h ASP 173 Cb 0.79 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3hf9 h ASP 173 CO 0.05 0.41 -0.58 0.00 -1.72 0.00 0.00 179.24 177.40 3hf9 h ALA 174 N 1.69 0.72 0.00 3.45 0.00 -1.01 -2.60 119.26 121.50 3hf9 h ALA 174 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3hf9 h ALA 174 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hf9 h ALA 174 CO -0.04 0.70 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 3hf9 h ALA 175 N 1.01 0.98 -0.04 0.00 0.00 -0.73 -1.47 119.26 119.01 3hf9 h ALA 175 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3hf9 h ALA 175 Cb 1.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hf9 h ALA 175 CO 0.10 0.21 -0.73 0.22 0.00 0.00 0.00 179.25 179.06 3hf9 h ASP 176 N 0.00 0.28 -0.00 0.00 3.58 -0.87 -3.31 116.42 116.10 3hf9 h ASP 176 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3hf9 h ASP 176 Cb 0.78 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.74 3hf9 h ASP 176 CO 0.02 0.91 -0.32 0.47 -2.88 0.00 0.00 179.24 177.44 3hf9 n ASP 177 N -3.78 0.59 -4.09 2.28 8.00 -1.14 -4.96 116.55 113.46 3hf9 n ASP 177 Ca -0.03 -0.79 -0.26 0.00 0.71 0.00 0.00 54.79 54.42 3hf9 n ASP 177 Cb 0.71 0.85 -0.16 0.00 -0.02 0.00 0.00 41.12 42.49 3hf9 n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hf9 s ASP 178 N -1.61 2.06 0.08 -2.24 2.15 -0.56 -5.02 116.67 111.53 3hf9 s ASP 178 Ca 0.04 -0.35 0.25 0.00 0.43 0.00 0.00 52.55 52.93 3hf9 s ASP 178 Cb 0.06 -0.81 0.55 0.00 -0.30 0.00 0.00 42.92 42.42 3hf9 s ASP 178 CO 0.30 0.09 1.47 -1.54 -0.17 0.00 0.00 175.17 175.32 3hf9 n SER 179 N 3.52 0.57 -0.03 -0.34 3.41 -1.26 -3.37 113.62 116.12 3hf9 n SER 179 Ca -0.21 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.64 3hf9 n SER 179 Cb 0.52 0.01 0.43 0.00 -0.26 0.00 0.00 64.21 64.91 3hf9 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 180 N -1.69 3.02 -2.92 7.33 0.00 -1.26 -4.78 120.51 120.22 3hf9 n ALA 180 Ca 0.05 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 3hf9 n ALA 180 Cb 0.40 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 3hf9 n ALA 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 181 N -2.91 3.83 0.06 0.00 2.01 -1.22 -4.69 115.64 112.73 3hf9 s THR 181 Ca 0.15 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 3hf9 s THR 181 Cb 0.18 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 3hf9 s THR 181 CO 0.61 0.51 0.52 -0.83 -0.69 0.00 0.00 174.62 174.74 3hf9 s GLY 182 N 0.20 2.60 0.39 4.40 0.00 -1.26 -4.47 107.32 109.18 3hf9 s GLY 182 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3hf9 s GLY 182 CO 0.03 0.34 0.54 0.61 0.00 0.00 0.00 173.10 174.62 3hf9 n GLY 183 N 1.62 0.59 3.64 0.20 0.00 -1.26 -4.54 105.19 105.44 3hf9 n GLY 183 Ca -0.11 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3hf9 n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hf9 s PRO 184 N -3.86 3.98 -0.56 1.61 0.02 -1.26 -4.90 135.00 130.02 3hf9 s PRO 184 Ca 0.35 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 62.92 3hf9 s PRO 184 Cb -0.02 -3.97 0.05 0.00 0.02 0.00 0.00 34.50 30.58 3hf9 s PRO 184 CO 0.23 -1.07 0.87 0.34 -0.33 0.00 0.00 177.00 177.04 3hf9 s ASP 185 N 3.54 6.28 0.15 2.53 3.68 -0.52 -4.88 116.67 127.44 3hf9 s ASP 185 Ca 0.68 -0.62 0.05 0.00 2.13 0.00 0.00 52.55 54.79 3hf9 s ASP 185 Cb -0.26 -2.40 -0.07 0.00 -1.45 0.00 0.00 42.92 38.74 3hf9 s ASP 185 CO 0.26 -1.19 1.34 -0.07 0.13 0.00 0.00 175.17 175.65 3hf9 h LEU 186 N 10.73 0.13 -0.54 -1.34 3.38 -1.93 0.79 115.31 126.52 3hf9 h LEU 186 Ca -0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hf9 h LEU 186 Cb 1.08 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3hf9 h LEU 186 CO 1.08 0.99 0.35 0.58 0.09 0.00 0.00 178.44 181.52 3hf9 h VAL 187 N 0.04 1.12 0.00 1.22 2.07 -1.98 -3.10 116.25 115.63 3hf9 h VAL 187 Ca -0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hf9 h VAL 187 Cb 1.61 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3hf9 h VAL 187 CO 0.13 0.13 -0.98 0.54 0.02 0.00 0.00 177.57 177.41 3hf9 n ARG 188 N -4.73 0.13 -3.03 1.57 1.74 -1.23 -4.99 116.66 106.12 3hf9 n ARG 188 Ca 0.03 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 3hf9 n ARG 188 Cb 0.03 -1.53 0.06 0.00 -1.02 0.00 0.00 32.46 30.01 3hf9 n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 189 N 1.45 -0.11 3.17 -0.13 0.00 0.17 -5.03 105.19 104.71 3hf9 n GLY 189 Ca 0.03 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3hf9 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 190 N -3.25 2.01 0.29 -0.61 1.01 -0.62 -5.01 121.20 115.03 3hf9 s ILE 190 Ca 0.06 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3hf9 s ILE 190 Cb -0.02 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 3hf9 s ILE 190 CO 0.51 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.62 3hf9 s PHE 191 N 0.72 1.92 0.65 3.97 0.40 -1.26 -1.44 117.98 122.94 3hf9 s PHE 191 Ca -0.10 -0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 55.25 3hf9 s PHE 191 Cb -0.16 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 3hf9 s PHE 191 CO 0.01 0.15 1.27 -2.14 0.70 0.00 0.00 175.22 175.21 3hf9 s PRO 192 N -3.80 2.56 0.27 0.24 0.02 -1.26 -4.78 135.00 128.26 3hf9 s PRO 192 Ca 0.32 1.98 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 3hf9 s PRO 192 Cb 0.06 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.65 3hf9 s PRO 192 CO 0.13 -1.57 0.60 0.95 -0.33 0.00 0.00 177.00 176.77 3hf9 s THR 193 N -1.51 4.91 0.13 0.99 -4.23 -0.83 -4.91 115.64 110.20 3hf9 s THR 193 Ca 0.81 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.69 3hf9 s THR 193 Cb -0.35 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 3hf9 s THR 193 CO 0.39 -0.20 0.19 0.00 -0.54 0.00 0.00 174.62 174.46 3hf9 s ALA 194 N -1.97 0.20 -0.01 3.99 0.00 -1.26 -1.77 121.76 120.94 3hf9 s ALA 194 Ca 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3hf9 s ALA 194 Cb -0.11 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.77 3hf9 s ALA 194 CO 0.24 -0.56 0.01 0.08 0.00 0.00 0.00 175.76 175.53 3hf9 s VAL 195 N -3.96 -0.02 0.06 0.00 1.01 0.44 -1.61 120.40 116.31 3hf9 s VAL 195 Ca 0.16 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.28 3hf9 s VAL 195 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 3hf9 s VAL 195 CO -0.02 0.03 -0.13 -0.63 0.00 0.00 0.00 175.10 174.34 3hf9 s ILE 196 N 0.39 3.13 -0.12 2.22 1.01 -0.38 -1.58 121.20 125.88 3hf9 s ILE 196 Ca -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 3hf9 s ILE 196 Cb -0.05 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.07 3hf9 s ILE 196 CO -0.01 0.26 -0.03 -0.63 0.00 0.00 0.00 174.94 174.53 3hf9 s ILE 197 N -1.04 0.74 0.00 2.92 1.01 -0.27 -0.46 121.20 124.09 3hf9 s ILE 197 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3hf9 s ILE 197 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3hf9 s ILE 197 CO 0.09 0.22 0.00 -0.90 0.00 0.00 0.00 174.94 174.35 3hf9 n ASP 198 N 5.02 0.96 0.14 3.58 5.75 -0.97 -1.43 116.55 129.59 3hf9 n ASP 198 Ca -0.10 -0.97 0.18 0.00 -0.01 0.00 0.00 54.79 53.89 3hf9 n ASP 198 Cb 0.49 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 41.35 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hf9 h ALA 199 N 1.00 2.04 0.02 2.12 0.00 -1.94 0.22 119.26 122.72 3hf9 h ALA 199 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 3hf9 h ALA 199 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hf9 h ALA 199 CO 0.00 -0.44 -1.04 -0.44 0.00 0.00 0.00 179.25 177.34 3hf9 h ASP 200 N 0.00 0.07 -4.22 0.00 3.45 -1.95 -3.50 116.42 110.26 3hf9 h ASP 200 Ca 0.14 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3hf9 h ASP 200 Cb 0.71 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3hf9 h ASP 200 CO -0.00 1.05 0.00 0.61 -1.57 0.00 0.00 179.24 179.33 3hf9 n GLY 201 N 1.37 0.88 3.74 2.75 0.00 0.06 -5.04 105.19 108.96 3hf9 n GLY 201 Ca -0.01 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3hf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 202 N -1.15 3.36 -0.00 4.61 0.00 0.30 -2.30 121.76 126.58 3hf9 s ALA 202 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.27 3hf9 s ALA 202 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3hf9 s ALA 202 CO 0.00 0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 3hf9 s VAL 203 N 0.02 0.82 0.17 0.00 1.01 0.39 -5.00 120.40 117.81 3hf9 s VAL 203 Ca 0.39 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3hf9 s VAL 203 Cb -0.20 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 3hf9 s VAL 203 CO 0.23 0.18 1.09 -1.81 0.00 0.00 0.00 175.10 174.79 3hf9 s ASP 204 N -0.39 7.28 -0.00 3.32 1.01 -1.26 -1.25 116.67 125.38 3hf9 s ASP 204 Ca 0.03 2.06 -0.30 0.00 0.71 0.00 0.00 52.55 55.06 3hf9 s ASP 204 Cb -0.05 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3hf9 s ASP 204 CO -0.00 -0.22 0.97 -0.69 0.21 0.00 0.00 175.17 175.44 3hf9 s VAL 205 N -0.17 4.88 0.22 -1.27 1.01 -0.64 -4.89 120.40 119.54 3hf9 s VAL 205 Ca 0.50 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 64.20 3hf9 s VAL 205 Cb -0.29 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 3hf9 s VAL 205 CO 0.34 0.16 1.59 -2.84 0.00 0.00 0.00 175.10 174.35 3hf9 s PRO 206 N 1.00 4.18 0.49 2.72 0.02 -1.26 -4.55 135.00 137.60 3hf9 s PRO 206 Ca 0.51 2.46 0.38 0.00 0.02 0.00 0.00 61.00 64.37 3hf9 s PRO 206 Cb -0.21 -3.10 1.56 0.00 0.02 0.00 0.00 34.50 32.78 3hf9 s PRO 206 CO 0.28 -0.61 1.61 1.49 -0.33 0.00 0.00 177.00 179.44 3hf9 h GLU 207 N 6.02 0.03 -0.09 5.54 4.81 -1.94 -0.69 114.58 128.26 3hf9 h GLU 207 Ca -0.44 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.62 3hf9 h GLU 207 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3hf9 h GLU 207 CO 0.87 0.02 -0.66 0.77 -0.73 0.00 0.00 179.01 179.28 3hf9 h SER 208 N 0.04 0.44 0.96 1.04 0.02 -1.99 0.24 113.55 114.30 3hf9 h SER 208 Ca 0.86 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 61.50 3hf9 h SER 208 Cb 3.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 65.44 3hf9 h SER 208 CO -0.25 0.98 -0.19 -0.09 -1.14 0.00 0.00 176.83 176.14 3hf9 h ARG 209 N 0.27 0.00 0.05 3.45 9.65 -1.49 -1.25 114.38 125.07 3hf9 h ARG 209 Ca -0.02 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.57 3hf9 h ARG 209 Cb 1.21 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3hf9 h ARG 209 CO 0.11 0.19 -1.59 0.82 2.80 0.00 0.00 179.97 182.30 3hf9 h ILE 210 N 0.00 1.03 -0.43 1.20 2.04 -1.37 -2.79 117.51 117.19 3hf9 h ILE 210 Ca -0.00 -2.78 0.03 0.00 1.00 0.00 0.00 64.86 63.11 3hf9 h ILE 210 Cb 0.72 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 3hf9 h ILE 210 CO 0.02 0.71 0.23 0.00 0.00 0.00 0.00 178.15 179.11 3hf9 h ALA 211 N 0.72 0.54 0.22 1.87 0.00 -0.27 -1.30 119.26 121.04 3hf9 h ALA 211 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hf9 h ALA 211 Cb 1.98 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3hf9 h ALA 211 CO 0.11 -0.12 -0.40 1.49 0.00 0.00 0.00 179.25 180.33 3hf9 h GLU 212 N 0.45 -0.65 -0.76 0.00 4.81 -1.26 -2.32 114.58 114.86 3hf9 h GLU 212 Ca 0.18 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 3hf9 h GLU 212 Cb 0.07 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 3hf9 h GLU 212 CO -0.12 -0.43 0.44 -0.07 -0.73 0.00 0.00 179.01 178.10 3hf9 h LEU 213 N -0.67 0.64 0.64 1.64 3.38 -1.37 -1.69 115.31 117.89 3hf9 h LEU 213 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hf9 h LEU 213 Cb 0.63 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hf9 h LEU 213 CO -0.15 0.40 -0.49 0.00 0.09 0.00 0.00 178.44 178.28 3hf9 h ALA 214 N 1.40 -1.18 -0.98 1.53 0.00 -0.89 0.01 119.26 119.15 3hf9 h ALA 214 Ca 0.35 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 214 Cb 0.25 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3hf9 h ALA 214 CO -0.21 -1.19 0.63 0.00 0.00 0.00 0.00 179.25 178.49 3hf9 h ARG 215 N -1.09 1.08 -0.56 0.00 3.08 -1.25 0.20 114.38 115.84 3hf9 h ARG 215 Ca -0.08 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hf9 h ARG 215 Cb 0.91 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 3hf9 h ARG 215 CO 0.02 0.72 0.36 0.00 -1.07 0.00 0.00 179.97 180.00 3hf9 h ALA 216 N 1.48 0.72 -0.57 0.04 0.00 -0.97 -1.78 119.26 118.18 3hf9 h ALA 216 Ca 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 3hf9 h ALA 216 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hf9 h ALA 216 CO -0.18 0.12 0.15 0.82 0.00 0.00 0.00 179.25 180.16 3hf9 h ILE 217 N 0.73 1.25 0.12 0.00 2.04 0.11 -2.35 117.51 119.40 3hf9 h ILE 217 Ca 0.21 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3hf9 h ILE 217 Cb -0.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hf9 h ILE 217 CO -0.06 0.32 -0.06 0.40 0.00 0.00 0.00 178.15 178.75 3hf9 h ILE 218 N 0.81 0.00 -0.98 -0.67 2.04 -0.25 -2.99 117.51 115.47 3hf9 h ILE 218 Ca 0.18 -0.01 0.19 0.00 1.00 0.00 0.00 64.86 66.21 3hf9 h ILE 218 Cb 0.33 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.23 3hf9 h ILE 218 CO 0.00 0.00 -0.27 -0.62 0.00 0.00 0.00 178.15 177.26 3hf9 n GLU 219 N -2.45 -0.12 -0.38 2.37 1.02 -0.71 -1.06 120.64 119.32 3hf9 n GLU 219 Ca -0.02 1.52 -0.06 0.00 -0.02 0.00 0.00 57.16 58.58 3hf9 n GLU 219 Cb 0.06 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 3hf9 n GLU 219 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hf9 n SER 220 N -5.56 -0.80 -0.05 1.62 2.88 -0.88 -0.01 113.62 110.82 3hf9 n SER 220 Ca 0.14 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.32 3hf9 n SER 220 Cb 0.47 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 3hf9 n SER 220 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hf9 n ARG 221 N -5.26 0.91 0.00 -1.46 1.74 -0.23 -5.12 116.66 107.24 3hf9 n ARG 221 Ca 0.06 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.27 3hf9 n ARG 221 Cb 0.30 -1.05 0.40 0.00 -1.02 0.00 0.00 32.46 31.10 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54