#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hij s ILE 2 N 0.00 3.28 -0.25 2.02 2.07 -1.26 -5.00 121.20 122.06 3hij s ILE 2 Ca 0.00 1.05 0.01 0.00 -1.41 0.00 0.00 60.65 60.30 3hij s ILE 2 Cb 0.00 -3.57 0.06 0.00 0.13 0.00 0.00 42.46 39.08 3hij s ILE 2 CO 0.00 0.07 -0.06 -0.62 -1.91 0.00 0.00 174.94 172.42 3hij s ASP 3 N -1.24 4.06 0.00 4.50 2.15 -1.26 -4.97 116.67 119.91 3hij s ASP 3 Ca 0.57 -1.28 0.29 0.00 0.43 0.00 0.00 52.55 52.56 3hij s ASP 3 Cb -0.29 -1.29 1.20 0.00 -0.30 0.00 0.00 42.92 42.24 3hij s ASP 3 CO 0.36 -0.23 1.85 0.49 -0.17 0.00 0.00 175.17 177.47 3hij n PHE 4 N 4.59 0.00 -4.23 -5.34 3.72 -1.26 -4.77 117.46 110.16 3hij n PHE 4 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hij n PHE 4 Cb 0.43 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3hij n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hij n GLY 5 N 1.30 -1.28 0.09 1.37 0.00 -1.26 -3.78 105.19 101.63 3hij n GLY 5 Ca 0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 3hij n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hij n THR 6 N -0.18 1.33 -3.85 2.61 -2.24 -1.26 -4.68 114.28 106.00 3hij n THR 6 Ca 0.00 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 3hij n THR 6 Cb 0.00 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 67.26 3hij n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hij s ILE 7 N -2.80 1.59 -0.04 2.28 1.01 -1.26 -1.03 121.20 120.94 3hij s ILE 7 Ca -0.04 -2.06 -0.22 0.00 0.00 0.00 0.00 60.65 58.33 3hij s ILE 7 Cb 0.08 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3hij s ILE 7 CO 0.82 -0.69 0.65 0.00 0.00 0.00 0.00 174.94 175.71 3hij s ALA 8 N 1.02 3.40 -0.21 9.38 0.00 -0.57 -0.22 121.76 134.56 3hij s ALA 8 Ca 0.12 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 3hij s ALA 8 Cb -0.20 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3hij s ALA 8 CO -0.13 0.01 0.10 0.99 0.00 0.00 0.00 175.76 176.73 3hij s THR 9 N 0.39 4.95 -1.11 0.00 2.01 0.50 -0.03 115.64 122.35 3hij s THR 9 Ca 0.34 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 3hij s THR 9 Cb -0.18 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.11 3hij s THR 9 CO 0.17 0.40 1.55 0.00 -0.69 0.00 0.00 174.62 176.06 3hij s ALA 10 N 0.78 2.89 0.33 7.40 0.00 -0.07 -0.74 121.76 132.35 3hij s ALA 10 Ca 0.05 -2.46 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 3hij s ALA 10 Cb -0.13 -4.57 -0.11 0.00 0.00 0.00 0.00 23.12 18.31 3hij s ALA 10 CO 0.02 -3.54 1.48 0.00 0.00 0.00 0.00 175.76 173.72 3hij s MET 11 N 4.77 4.17 0.81 0.00 0.23 -0.27 -4.61 119.30 124.41 3hij s MET 11 Ca 0.49 2.49 -0.13 0.00 -1.03 0.00 0.00 55.69 57.50 3hij s MET 11 Cb 0.01 -3.02 0.08 0.00 -1.53 0.00 0.00 34.83 30.38 3hij s MET 11 CO -0.04 -0.49 1.18 1.33 -2.03 0.00 0.00 175.02 174.97 3hij n VAL 12 N 1.19 1.95 -3.39 5.16 0.24 -1.26 -3.36 118.33 118.86 3hij n VAL 12 Ca 0.03 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.34 61.69 3hij n VAL 12 Cb 0.39 -1.18 -0.08 0.00 -1.47 0.00 0.00 33.84 31.50 3hij n VAL 12 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hij s THR 13 N -2.14 5.22 0.21 3.34 2.01 -1.26 -4.88 115.64 118.14 3hij s THR 13 Ca 0.73 -0.88 -0.32 0.00 0.31 0.00 0.00 61.69 61.53 3hij s THR 13 Cb -0.29 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.03 3hij s THR 13 CO 0.51 -0.51 1.67 -2.84 -0.69 0.00 0.00 174.62 172.77 3hij s PRO 14 N 1.73 4.15 0.17 4.92 0.02 -1.26 -4.95 135.00 139.77 3hij s PRO 14 Ca 0.05 2.55 0.09 0.00 0.02 0.00 0.00 61.00 63.71 3hij s PRO 14 Cb -0.22 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3hij s PRO 14 CO 0.08 -0.71 -0.12 -0.06 -0.33 0.00 0.00 177.00 175.87 3hij s PHE 15 N 1.06 2.61 0.58 6.54 2.99 -0.68 -0.68 117.98 130.41 3hij s PHE 15 Ca 0.73 -0.23 -0.09 0.00 0.00 0.00 0.00 56.93 57.33 3hij s PHE 15 Cb -0.48 -1.30 0.13 0.00 0.00 0.00 0.00 43.02 41.37 3hij s PHE 15 CO 0.33 0.49 0.80 -0.40 -0.00 0.00 0.00 175.22 176.44 3hij n ASP 16 N 0.21 0.14 0.07 1.36 5.68 0.64 -3.47 116.55 121.18 3hij n ASP 16 Ca -0.12 -1.33 0.11 0.00 -0.50 0.00 0.00 54.79 52.95 3hij n ASP 16 Cb 0.55 -0.60 0.58 0.00 -1.14 0.00 0.00 41.12 40.50 3hij n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hij h ILE 17 N -1.38 0.93 -0.39 2.12 6.09 -1.99 0.76 117.51 123.65 3hij h ILE 17 Ca -0.26 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3hij h ILE 17 Cb 0.73 0.71 0.00 0.00 0.47 0.00 0.00 36.82 38.73 3hij h ILE 17 CO 0.19 0.04 0.00 0.59 -3.07 0.00 0.00 178.15 175.90 3hij n ASN 18 N -4.47 2.19 0.00 2.19 3.02 -1.26 -4.91 115.26 112.01 3hij n ASN 18 Ca 0.04 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3hij n ASN 18 Cb 0.27 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3hij n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hij n GLY 19 N 1.09 1.06 3.84 7.41 0.00 0.26 -5.02 105.19 113.82 3hij n GLY 19 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3hij n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hij s ASN 20 N -3.06 6.56 0.31 1.61 0.02 -1.26 -4.74 114.94 114.38 3hij s ASN 20 Ca 0.00 1.60 -0.29 0.00 -1.02 0.00 0.00 52.86 53.15 3hij s ASN 20 Cb 0.00 -2.51 -0.11 0.00 0.02 0.00 0.00 41.25 38.65 3hij s ASN 20 CO 0.00 -0.63 1.49 -0.63 0.02 0.00 0.00 177.10 177.36 3hij s ILE 21 N -2.58 2.30 -0.57 0.60 1.01 -1.26 -0.26 121.20 120.43 3hij s ILE 21 Ca 0.60 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.43 3hij s ILE 21 Cb -0.10 -3.17 0.15 0.00 0.01 0.00 0.00 42.46 39.34 3hij s ILE 21 CO 0.31 0.05 0.44 -0.62 0.00 0.00 0.00 174.94 175.11 3hij s ASP 22 N 0.19 5.74 0.33 3.58 -1.08 0.15 -4.67 116.67 120.91 3hij s ASP 22 Ca 0.58 -2.31 0.14 0.00 -0.52 0.00 0.00 52.55 50.45 3hij s ASP 22 Cb -0.45 -2.00 0.57 0.00 -1.46 0.00 0.00 42.92 39.59 3hij s ASP 22 CO 0.51 -0.58 1.71 -0.26 0.52 0.00 0.00 175.17 177.07 3hij h PHE 23 N 7.94 0.00 -0.12 -5.34 -1.00 -1.92 -1.21 116.94 115.29 3hij h PHE 23 Ca -0.10 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.48 3hij h PHE 23 Cb 1.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.60 3hij h PHE 23 CO 0.72 0.47 -0.75 0.00 -1.61 0.00 0.00 178.31 177.15 3hij h ALA 24 N 1.53 0.46 -0.06 2.45 0.00 -1.98 -1.59 119.26 120.06 3hij h ALA 24 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3hij h ALA 24 Cb 0.91 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hij h ALA 24 CO 0.06 0.72 -0.41 -0.22 0.00 0.00 0.00 179.25 179.40 3hij h LYS 25 N 0.41 0.14 -0.45 0.00 1.63 -1.92 -2.30 116.57 114.09 3hij h LYS 25 Ca -0.04 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 3hij h LYS 25 Cb 1.35 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 3hij h LYS 25 CO 0.14 0.53 0.22 1.15 -3.45 0.00 0.00 179.45 178.04 3hij h THR 26 N 0.12 1.18 -0.28 1.00 2.02 -0.88 -0.27 112.91 115.79 3hij h THR 26 Ca 0.01 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.75 3hij h THR 26 Cb 0.78 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 3hij h THR 26 CO 0.06 0.20 -0.24 0.74 0.37 0.00 0.00 175.52 176.65 3hij h THR 27 N 0.59 0.39 -0.32 3.16 2.02 -1.01 0.06 112.91 117.79 3hij h THR 27 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3hij h THR 27 Cb 0.11 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3hij h THR 27 CO -0.02 0.00 0.18 0.11 0.37 0.00 0.00 175.52 176.16 3hij h LYS 28 N -0.22 0.45 -0.40 6.66 1.57 -0.96 -2.36 116.57 121.31 3hij h LYS 28 Ca 0.15 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3hij h LYS 28 Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3hij h LYS 28 CO -0.41 0.39 0.24 1.25 -0.57 0.00 0.00 179.45 180.34 3hij h LEU 29 N 0.40 0.38 0.02 2.94 5.85 -0.75 0.58 115.31 124.74 3hij h LEU 29 Ca 0.11 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hij h LEU 29 Cb 0.07 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3hij h LEU 29 CO -0.02 0.28 -0.19 0.58 -0.34 0.00 0.00 178.44 178.75 3hij h VAL 30 N 0.48 0.56 -0.61 1.05 2.07 -0.86 0.12 116.25 119.05 3hij h VAL 30 Ca 0.16 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 3hij h VAL 30 Cb 0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hij h VAL 30 CO -0.07 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.45 3hij h ASN 31 N -0.31 0.90 -0.80 0.57 2.35 -1.16 0.19 115.58 117.32 3hij h ASN 31 Ca 0.05 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3hij h ASN 31 Cb 0.37 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 3hij h ASN 31 CO -0.16 0.87 0.52 0.22 -1.65 0.00 0.00 177.43 177.22 3hij h TYR 32 N 0.92 0.97 -0.17 1.19 3.20 -0.39 -2.26 116.97 120.42 3hij h TYR 32 Ca 0.20 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3hij h TYR 32 Cb 0.32 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hij h TYR 32 CO 0.02 0.57 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.01 3hij h LEU 33 N 1.02 0.32 -1.62 2.82 3.38 0.44 -2.21 115.31 119.46 3hij h LEU 33 Ca 0.31 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hij h LEU 33 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hij h LEU 33 CO -0.10 0.61 -0.21 0.40 0.09 0.00 0.00 178.44 179.23 3hij h ILE 34 N 0.04 0.87 -0.22 1.22 2.04 -0.94 0.85 117.51 121.37 3hij h ILE 34 Ca 0.04 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3hij h ILE 34 Cb 0.46 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3hij h ILE 34 CO 0.02 0.20 0.00 0.47 0.00 0.00 0.00 178.15 178.84 3hij n ASP 35 N -3.89 2.37 -2.35 1.72 8.00 -0.86 -4.17 116.55 117.37 3hij n ASP 35 Ca -0.02 -1.82 -0.17 0.00 0.71 0.00 0.00 54.79 53.50 3hij n ASP 35 Cb 0.30 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3hij n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hij n ASN 36 N 0.79 3.74 0.00 -2.24 3.02 0.26 -4.98 115.26 115.85 3hij n ASN 36 Ca 0.17 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 3hij n ASN 36 Cb 0.45 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3hij n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hij n GLY 37 N -0.60 0.42 3.70 7.41 0.00 -1.15 -3.41 105.19 111.57 3hij n GLY 37 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3hij n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hij s THR 38 N -2.09 4.57 -0.91 2.61 2.01 -0.99 -4.58 115.64 116.25 3hij s THR 38 Ca 0.00 1.85 0.12 0.00 0.31 0.00 0.00 61.69 63.96 3hij s THR 38 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 3hij s THR 38 CO 0.00 0.10 0.63 0.35 -0.69 0.00 0.00 174.62 175.01 3hij n THR 39 N 4.11 0.00 -3.59 -0.82 -2.24 0.69 -4.55 114.28 107.89 3hij n THR 39 Ca 0.08 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 3hij n THR 39 Cb 0.49 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3hij n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hij s ALA 40 N -1.74 -1.80 -0.21 6.98 0.00 -1.16 -4.09 121.76 119.75 3hij s ALA 40 Ca 0.08 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 3hij s ALA 40 Cb 0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3hij s ALA 40 CO 0.36 -0.34 -0.05 0.42 0.00 0.00 0.00 175.76 176.15 3hij s ILE 41 N -0.30 3.38 -0.38 0.00 1.01 0.75 -0.37 121.20 125.29 3hij s ILE 41 Ca -0.04 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 3hij s ILE 41 Cb -0.03 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3hij s ILE 41 CO 0.04 0.44 0.60 -0.69 0.00 0.00 0.00 174.94 175.32 3hij s VAL 42 N 1.32 4.91 -0.17 2.92 1.01 0.08 0.94 120.40 131.42 3hij s VAL 42 Ca 0.04 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3hij s VAL 42 Cb -0.14 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3hij s VAL 42 CO -0.02 -0.37 0.02 -0.69 0.00 0.00 0.00 175.10 174.04 3hij s VAL 43 N 2.63 4.40 -0.58 2.92 1.01 0.90 -1.11 120.40 130.58 3hij s VAL 43 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3hij s VAL 43 Cb -0.15 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3hij s VAL 43 CO 0.16 0.48 0.10 0.61 0.00 0.00 0.00 175.10 176.45 3hij n GLY 44 N 3.44 0.17 0.00 4.51 0.00 -1.26 -1.16 105.19 110.89 3hij n GLY 44 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3hij n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hij n GLY 45 N -1.01 0.20 0.24 -0.02 0.00 -1.26 -4.09 105.19 99.25 3hij n GLY 45 Ca -0.06 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 3hij n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hij h THR 46 N -0.32 0.84 0.00 2.61 2.02 -1.95 -1.06 112.91 115.04 3hij h THR 46 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3hij h THR 46 Cb 0.00 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3hij h THR 46 CO 0.00 0.09 -0.13 0.74 0.37 0.00 0.00 175.52 176.59 3hij h THR 47 N 0.51 0.39 -0.24 3.16 2.02 -1.87 -0.75 112.91 116.13 3hij h THR 47 Ca 0.31 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3hij h THR 47 Cb 0.32 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3hij h THR 47 CO -0.26 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.37 3hij n GLY 48 N -0.16 0.69 3.90 2.16 0.00 -0.44 -4.26 105.19 107.09 3hij n GLY 48 Ca -0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3hij n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hij n GLU 49 N 0.23 -5.24 -0.27 1.61 1.02 -0.29 -4.17 120.64 113.53 3hij n GLU 49 Ca 0.09 0.58 0.18 0.00 -0.02 0.00 0.00 57.16 57.99 3hij n GLU 49 Cb 0.31 -5.39 0.48 0.00 -0.02 0.00 0.00 31.44 26.82 3hij n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hij h SER 50 N -2.02 0.48 -0.37 1.62 4.64 -1.64 -1.72 113.55 114.53 3hij h SER 50 Ca -0.59 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3hij h SER 50 Cb 1.37 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3hij h SER 50 CO 0.66 0.18 0.25 -0.65 -0.87 0.00 0.00 176.83 176.40 3hij h PRO 51 N 0.47 0.35 -0.41 4.77 0.11 -1.89 -2.71 132.00 132.69 3hij h PRO 51 Ca 0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3hij h PRO 51 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hij h PRO 51 CO -0.22 0.23 0.00 0.25 -0.21 0.00 0.00 178.00 178.05 3hij n THR 52 N -4.48 0.59 -3.60 -1.15 -2.24 -0.66 -4.92 114.28 97.82 3hij n THR 52 Ca 0.04 -0.80 -0.37 0.00 -2.27 0.00 0.00 64.05 60.65 3hij n THR 52 Cb 0.17 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 3hij n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hij s LEU 53 N -1.32 4.43 0.79 3.22 1.43 -1.02 -5.08 118.68 121.13 3hij s LEU 53 Ca 0.37 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3hij s LEU 53 Cb 0.21 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.95 3hij s LEU 53 CO 0.29 0.31 1.12 0.42 0.23 0.00 0.00 176.35 178.73 3hij s THR 54 N -1.13 2.82 0.32 5.49 -4.23 -1.26 -4.84 115.64 112.80 3hij s THR 54 Ca 0.24 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3hij s THR 54 Cb -0.15 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.80 3hij s THR 54 CO 0.12 -0.35 1.97 -1.28 -0.54 0.00 0.00 174.62 174.55 3hij h SER 55 N -1.02 0.80 -0.30 3.99 0.87 -1.98 -0.48 113.55 115.44 3hij h SER 55 Ca -0.47 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 59.96 3hij h SER 55 Cb 1.29 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 3hij h SER 55 CO 0.62 0.61 -0.20 -0.33 -0.53 0.00 0.00 176.83 177.00 3hij h GLU 56 N 0.93 0.66 -0.61 2.24 3.07 -2.00 -2.44 114.58 116.43 3hij h GLU 56 Ca 0.25 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3hij h GLU 56 Cb -0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3hij h GLU 56 CO -0.05 0.91 0.40 0.93 -1.40 0.00 0.00 179.01 179.80 3hij h GLU 57 N 0.41 0.81 0.58 2.33 5.08 -1.82 -1.74 114.58 120.23 3hij h GLU 57 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hij h GLU 57 Cb 0.75 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hij h GLU 57 CO 0.06 0.54 -0.28 0.87 -1.00 0.00 0.00 179.01 179.20 3hij h LYS 58 N 0.83 -0.75 -0.64 2.33 1.57 -0.78 -0.19 116.57 118.94 3hij h LYS 58 Ca 0.22 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 3hij h LYS 58 Cb -0.08 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3hij h LYS 58 CO -0.05 -0.48 0.37 0.28 -0.57 0.00 0.00 179.45 179.01 3hij h VAL 59 N -0.84 1.01 -0.60 0.50 2.07 -1.38 0.27 116.25 117.29 3hij h VAL 59 Ca -0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3hij h VAL 59 Cb 0.62 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3hij h VAL 59 CO 0.13 0.13 0.31 0.00 0.02 0.00 0.00 177.57 178.16 3hij h ALA 60 N 1.31 1.42 -0.19 1.67 0.00 -1.12 0.70 119.26 123.04 3hij h ALA 60 Ca 0.28 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3hij h ALA 60 Cb 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hij h ALA 60 CO -0.15 0.47 -0.42 1.25 0.00 0.00 0.00 179.25 180.40 3hij h LEU 61 N 0.83 0.70 -0.18 0.00 5.85 0.21 -1.00 115.31 121.73 3hij h LEU 61 Ca 0.21 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3hij h LEU 61 Cb 0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hij h LEU 61 CO -0.03 1.13 0.02 1.88 -0.34 0.00 0.00 178.44 181.10 3hij h TYR 62 N 0.30 0.04 -0.34 1.25 0.05 0.31 -1.08 116.97 117.50 3hij h TYR 62 Ca 0.00 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.81 3hij h TYR 62 Cb 1.02 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3hij h TYR 62 CO 0.09 0.01 0.19 -0.09 -1.05 0.00 0.00 178.16 177.31 3hij h ARG 63 N 0.09 0.38 -0.14 4.88 2.43 -0.85 -0.76 114.38 120.42 3hij h ARG 63 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hij h ARG 63 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3hij h ARG 63 CO -0.12 0.25 0.09 1.25 -1.51 0.00 0.00 179.97 179.93 3hij h HIS 64 N 0.39 0.18 -0.64 2.20 2.76 -0.95 -1.85 115.15 117.24 3hij h HIS 64 Ca 0.14 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3hij h HIS 64 Cb 0.02 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 3hij h HIS 64 CO -0.08 0.12 0.28 0.28 -1.30 0.00 0.00 177.93 177.22 3hij h VAL 65 N 0.19 1.23 -0.66 5.26 2.07 -1.03 -0.72 116.25 122.59 3hij h VAL 65 Ca 0.05 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3hij h VAL 65 Cb -0.01 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 3hij h VAL 65 CO -0.01 0.28 0.30 0.58 0.02 0.00 0.00 177.57 178.74 3hij h VAL 66 N 0.89 0.83 -0.23 2.57 2.07 -0.99 0.22 116.25 121.62 3hij h VAL 66 Ca 0.22 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.37 3hij h VAL 66 Cb 0.17 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3hij h VAL 66 CO -0.02 0.10 -0.61 -1.28 0.02 0.00 0.00 177.57 175.78 3hij h SER 67 N 0.53 0.87 -0.25 0.57 0.87 -0.73 -1.87 113.55 113.54 3hij h SER 67 Ca 0.32 -0.49 -0.20 0.00 -1.23 0.00 0.00 61.79 60.19 3hij h SER 67 Cb 0.35 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3hij h SER 67 CO -0.27 1.27 -0.61 0.58 -0.53 0.00 0.00 176.83 177.27 3hij h VAL 68 N 0.57 1.27 -0.61 2.23 2.07 -0.83 -3.12 116.25 117.83 3hij h VAL 68 Ca -0.00 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 3hij h VAL 68 Cb 1.21 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3hij h VAL 68 CO 0.13 0.58 0.20 0.58 0.02 0.00 0.00 177.57 179.08 3hij h VAL 69 N 0.62 1.23 -6.09 2.57 2.07 -0.50 -3.47 116.25 112.68 3hij h VAL 69 Ca -0.01 -0.78 -0.43 0.00 0.82 0.00 0.00 66.70 66.31 3hij h VAL 69 Cb 1.23 0.54 0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3hij h VAL 69 CO 0.13 0.30 -0.79 -0.67 0.02 0.00 0.00 177.57 176.57 3hij n ASP 70 N -4.29 -2.88 0.00 0.57 4.64 -0.71 -1.43 116.55 112.46 3hij n ASP 70 Ca 0.05 -0.76 0.00 0.00 -1.38 0.00 0.00 54.79 52.70 3hij n ASP 70 Cb 0.20 -4.20 0.00 0.00 -1.04 0.00 0.00 41.12 36.08 3hij n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hij n LYS 71 N -4.46 -1.62 0.06 -0.67 4.76 -1.26 -4.88 118.16 110.09 3hij n LYS 71 Ca -0.16 0.41 -0.03 0.00 -2.87 0.00 0.00 58.31 55.65 3hij n LYS 71 Cb 0.62 -4.71 0.21 0.00 -1.84 0.00 0.00 35.03 29.31 3hij n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hij h ARG 72 N 0.15 0.34 -3.97 1.97 3.08 -1.61 -3.45 114.38 110.88 3hij h ARG 72 Ca 0.00 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 3hij h ARG 72 Cb 0.81 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.71 3hij h ARG 72 CO 0.00 0.66 -0.46 0.14 -1.07 0.00 0.00 179.97 179.24 3hij s VAL 73 N -4.26 0.15 0.49 2.04 -7.23 -1.26 -5.07 120.40 105.26 3hij s VAL 73 Ca -0.05 -1.42 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 3hij s VAL 73 Cb 0.13 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.50 3hij s VAL 73 CO 0.78 -0.67 1.20 -2.84 -0.31 0.00 0.00 175.10 173.26 3hij s PRO 74 N -3.90 3.58 -0.22 4.82 0.02 -1.26 -4.80 135.00 133.24 3hij s PRO 74 Ca 0.09 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 3hij s PRO 74 Cb 0.06 -2.33 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 3hij s PRO 74 CO -0.08 -0.72 -0.04 0.08 -0.33 0.00 0.00 177.00 175.91 3hij s VAL 75 N -1.51 3.45 -0.21 3.83 1.01 -1.26 -0.18 120.40 125.52 3hij s VAL 75 Ca 0.66 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3hij s VAL 75 Cb -0.31 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3hij s VAL 75 CO 0.37 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 175.20 3hij s ILE 76 N 1.46 3.30 -0.19 2.22 1.01 0.27 -0.54 121.20 128.73 3hij s ILE 76 Ca 0.05 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 3hij s ILE 76 Cb -0.14 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3hij s ILE 76 CO -0.03 0.43 0.51 0.00 0.00 0.00 0.00 174.94 175.86 3hij s ALA 77 N 1.41 3.54 -0.65 9.38 0.00 -0.14 -0.07 121.76 135.24 3hij s ALA 77 Ca 0.05 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 3hij s ALA 77 Cb -0.14 -2.79 -0.18 0.00 0.00 0.00 0.00 23.12 20.01 3hij s ALA 77 CO -0.03 -0.40 1.87 0.41 0.00 0.00 0.00 175.76 177.61 3hij n GLY 78 N 3.84 2.28 0.05 0.00 0.00 -0.31 -0.73 105.19 110.33 3hij n GLY 78 Ca -0.05 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.94 3hij n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hij n THR 79 N 5.99 0.30 -3.08 2.61 -2.24 -0.93 -4.78 114.28 112.15 3hij n THR 79 Ca 0.48 -0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.74 3hij n THR 79 Cb 0.38 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 3hij n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hij s GLY 80 N -3.36 2.54 0.00 3.38 0.00 -1.11 -4.59 107.32 104.19 3hij s GLY 80 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3hij s GLY 80 CO 0.62 0.48 0.00 -1.14 0.00 0.00 0.00 173.10 173.06 3hij n SER 81 N 0.38 0.82 -0.97 1.64 3.41 -1.26 -4.43 113.62 113.21 3hij n SER 81 Ca -0.00 -0.33 0.06 0.00 -0.26 0.00 0.00 58.87 58.34 3hij n SER 81 Cb 0.52 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.67 3hij n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hij n ASN 82 N -0.71 2.80 -4.08 4.04 2.04 -1.26 -4.55 115.26 113.54 3hij n ASN 82 Ca 0.00 -2.18 -0.33 0.00 -0.44 0.00 0.00 54.58 51.63 3hij n ASN 82 Cb 0.00 -0.40 -0.14 0.00 -2.53 0.00 0.00 39.78 36.71 3hij n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3hij s ASN 83 N -0.81 4.75 0.14 0.53 3.84 -1.26 -4.91 114.94 117.22 3hij s ASN 83 Ca 0.30 -1.72 -0.19 0.00 0.21 0.00 0.00 52.86 51.45 3hij s ASN 83 Cb 0.18 -1.65 0.01 0.00 -0.55 0.00 0.00 41.25 39.24 3hij s ASN 83 CO 0.16 -0.32 1.69 0.74 -2.79 0.00 0.00 177.10 176.59 3hij h THR 84 N 6.60 0.74 -0.71 -5.21 2.02 -1.95 -0.87 112.91 113.53 3hij h THR 84 Ca -0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3hij h THR 84 Cb 1.04 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3hij h THR 84 CO 0.53 0.00 0.28 0.45 0.37 0.00 0.00 175.52 177.14 3hij h HIS 85 N -0.00 1.08 -0.57 3.16 3.86 -1.98 -0.70 115.15 120.01 3hij h HIS 85 Ca 0.12 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3hij h HIS 85 Cb 0.19 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3hij h HIS 85 CO -0.26 0.84 0.09 0.00 0.86 0.00 0.00 177.93 179.47 3hij h ALA 86 N 1.13 1.10 -0.72 2.45 0.00 -1.90 -1.62 119.26 119.69 3hij h ALA 86 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hij h ALA 86 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hij h ALA 86 CO -0.02 0.59 0.35 0.77 0.00 0.00 0.00 179.25 180.94 3hij h SER 87 N 0.86 0.95 0.16 0.00 0.02 -0.68 -0.08 113.55 114.77 3hij h SER 87 Ca 0.18 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hij h SER 87 Cb 0.38 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3hij h SER 87 CO 0.01 0.81 -0.14 0.40 -1.14 0.00 0.00 176.83 176.77 3hij h ILE 88 N 1.01 0.69 -0.63 3.27 2.04 -0.67 -0.84 117.51 122.38 3hij h ILE 88 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 3hij h ILE 88 Cb 0.12 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3hij h ILE 88 CO -0.03 0.00 0.41 0.44 0.00 0.00 0.00 178.15 178.97 3hij h ASP 89 N -0.32 0.73 -0.45 1.72 3.32 -1.02 -0.32 116.42 120.09 3hij h ASP 89 Ca -0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3hij h ASP 89 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3hij h ASP 89 CO -0.03 0.54 -0.17 0.25 -1.72 0.00 0.00 179.24 178.11 3hij h LEU 90 N 0.86 0.95 -0.71 1.55 5.85 -0.97 -2.28 115.31 120.56 3hij h LEU 90 Ca 0.23 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3hij h LEU 90 Cb -0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3hij h LEU 90 CO -0.05 1.10 0.46 0.74 -0.34 0.00 0.00 178.44 180.35 3hij h THR 91 N 0.83 1.15 -0.35 1.05 2.02 -0.75 0.20 112.91 117.06 3hij h THR 91 Ca 0.12 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3hij h THR 91 Cb 0.72 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3hij h THR 91 CO 0.06 0.17 0.17 0.11 0.37 0.00 0.00 175.52 176.40 3hij h LYS 92 N 0.92 0.50 -0.36 6.66 1.79 -0.97 -0.21 116.57 124.90 3hij h LYS 92 Ca 0.27 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.62 3hij h LYS 92 Cb -0.07 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 3hij h LYS 92 CO -0.07 0.45 0.01 0.87 -1.08 0.00 0.00 179.45 179.63 3hij h LYS 93 N 0.43 0.56 -0.41 3.15 1.57 -1.02 -1.71 116.57 119.14 3hij h LYS 93 Ca 0.12 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hij h LYS 93 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hij h LYS 93 CO -0.02 0.58 -0.05 0.00 -0.57 0.00 0.00 179.45 179.39 3hij h ALA 94 N 1.48 0.56 -0.78 3.86 0.00 -0.18 -2.48 119.26 121.73 3hij h ALA 94 Ca 0.12 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hij h ALA 94 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hij h ALA 94 CO 0.01 0.39 0.51 1.15 0.00 0.00 0.00 179.25 181.31 3hij h THR 95 N 0.58 1.15 0.00 0.00 2.02 -0.67 -2.04 112.91 113.95 3hij h THR 95 Ca 0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3hij h THR 95 Cb 0.56 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3hij h THR 95 CO 0.03 0.18 0.00 1.05 0.37 0.00 0.00 175.52 177.15 3hij h GLU 96 N 0.98 0.00 -0.24 6.66 4.11 -1.09 -2.67 114.58 122.33 3hij h GLU 96 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 3hij h GLU 96 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hij h GLU 96 CO -0.08 0.00 0.00 1.33 0.07 0.00 0.00 179.01 180.33 3hij n VAL 97 N -2.40 0.32 -0.47 -1.06 0.24 -0.78 -4.96 118.33 109.22 3hij n VAL 97 Ca 0.05 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3hij n VAL 97 Cb 0.45 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 3hij n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 98 N 1.12 0.73 3.53 7.63 0.00 -1.01 -4.70 105.19 112.51 3hij n GLY 98 Ca 0.15 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3hij n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hij n VAL 99 N -2.47 0.92 0.39 1.61 0.24 -1.21 -4.95 118.33 112.86 3hij n VAL 99 Ca 0.00 -0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.20 3hij n VAL 99 Cb 0.00 -0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 31.47 3hij n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3hij n ASP 100 N -2.03 0.52 -3.67 -1.34 9.92 0.30 -4.86 116.55 115.40 3hij n ASP 100 Ca 0.10 -0.16 -0.01 0.00 -0.53 0.00 0.00 54.79 54.19 3hij n ASP 100 Cb 0.52 1.08 -0.01 0.00 -0.64 0.00 0.00 41.12 42.07 3hij n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hij s ALA 101 N -3.29 -1.89 0.08 2.24 0.00 -0.89 -4.08 121.76 113.94 3hij s ALA 101 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3hij s ALA 101 Cb 0.14 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3hij s ALA 101 CO 0.84 -1.05 -0.15 0.14 0.00 0.00 0.00 175.76 175.53 3hij s VAL 102 N -2.83 1.23 -0.04 0.00 -7.23 -0.92 -0.96 120.40 109.64 3hij s VAL 102 Ca 0.14 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 3hij s VAL 102 Cb 0.01 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 3hij s VAL 102 CO 0.00 -0.23 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.07 3hij s MET 103 N -1.90 2.41 -0.21 4.82 0.00 0.09 -0.55 119.30 123.96 3hij s MET 103 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 55.69 54.93 3hij s MET 103 Cb -0.09 -2.30 0.06 0.00 0.00 0.00 0.00 34.83 32.50 3hij s MET 103 CO 0.03 0.61 0.00 -0.51 0.00 0.00 0.00 175.02 175.15 3hij s LEU 104 N -0.70 1.66 0.46 4.11 1.43 -0.12 -2.19 118.68 123.33 3hij s LEU 104 Ca 0.11 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 52.07 3hij s LEU 104 Cb -0.10 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 3hij s LEU 104 CO 0.00 -0.28 1.01 0.54 0.23 0.00 0.00 176.35 177.86 3hij s VAL 105 N 1.70 3.96 0.16 -1.59 0.11 -1.26 -1.09 120.40 122.38 3hij s VAL 105 Ca -0.03 1.25 -0.33 0.00 -2.93 0.00 0.00 61.98 59.94 3hij s VAL 105 Cb -0.18 -3.52 -0.13 0.00 -1.53 0.00 0.00 36.38 31.03 3hij s VAL 105 CO -0.07 -0.24 1.67 0.00 -3.33 0.00 0.00 175.10 173.14 3hij n ALA 106 N -0.78 1.94 -1.68 1.54 0.00 -0.31 -4.74 120.51 116.49 3hij n ALA 106 Ca 0.08 0.41 -0.45 0.00 0.00 0.00 0.00 53.44 53.47 3hij n ALA 106 Cb 0.53 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 3hij n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hij n PRO 107 N 4.02 2.26 -3.03 0.00 -0.02 -1.26 -4.81 135.00 132.16 3hij n PRO 107 Ca 0.17 0.82 -0.22 0.00 -2.02 0.00 0.00 63.50 62.25 3hij n PRO 107 Cb 0.32 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.21 3hij n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3hij s TYR 108 N 1.20 3.16 0.00 6.00 1.13 -1.26 -4.43 117.35 123.16 3hij s TYR 108 Ca 0.79 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.58 3hij s TYR 108 Cb -0.65 -2.30 0.00 0.00 -1.10 0.00 0.00 41.96 37.91 3hij s TYR 108 CO 0.38 -0.35 0.00 0.98 -2.51 0.00 0.00 175.55 174.05 3hij n TYR 109 N -2.03 0.00 1.44 -3.49 9.36 -1.26 -4.42 117.16 116.76 3hij n TYR 109 Ca 0.02 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.38 3hij n TYR 109 Cb 0.58 0.00 0.69 0.00 -0.63 0.00 0.00 39.34 39.98 3hij n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3hij n ASN 110 N 1.69 0.22 -3.64 2.98 0.23 -1.26 -4.97 115.26 110.52 3hij n ASN 110 Ca 0.00 -0.38 -0.23 0.00 -0.53 0.00 0.00 54.58 53.44 3hij n ASN 110 Cb 0.00 -0.17 0.04 0.00 -2.08 0.00 0.00 39.78 37.57 3hij n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hij n LYS 111 N -1.12 -3.48 -0.90 -3.83 5.02 -1.26 -4.96 118.16 107.63 3hij n LYS 111 Ca 0.15 0.60 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 3hij n LYS 111 Cb 0.25 -4.97 0.14 0.00 -0.02 0.00 0.00 35.03 30.43 3hij n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hij s PRO 112 N -5.76 1.44 0.93 1.97 0.04 -1.26 -5.04 135.00 127.31 3hij s PRO 112 Ca 0.19 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 3hij s PRO 112 Cb -0.05 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.89 3hij s PRO 112 CO 0.82 -2.29 1.29 -1.54 0.04 0.00 0.00 177.00 175.32 3hij s SER 113 N -2.94 3.30 0.19 6.66 1.04 -1.26 -4.81 113.70 115.89 3hij s SER 113 Ca 0.65 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 57.23 3hij s SER 113 Cb -0.21 -0.36 0.15 0.00 0.10 0.00 0.00 66.02 65.69 3hij s SER 113 CO 0.57 -2.61 1.84 1.56 0.98 0.00 0.00 173.24 175.58 3hij h GLN 114 N -1.53 0.75 -0.32 4.02 1.08 -1.96 0.15 115.11 117.30 3hij h GLN 114 Ca -0.44 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.56 3hij h GLN 114 Cb 1.24 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 3hij h GLN 114 CO 0.40 0.50 -0.42 1.49 -0.95 0.00 0.00 178.83 179.85 3hij h GLU 115 N 0.77 0.80 -0.55 1.46 4.57 -1.99 0.16 114.58 119.80 3hij h GLU 115 Ca 0.25 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 3hij h GLU 115 Cb 0.00 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3hij h GLU 115 CO -0.09 1.06 0.31 0.78 -1.18 0.00 0.00 179.01 179.88 3hij h GLY 116 N 0.87 0.83 1.30 1.92 0.00 -1.80 -0.58 103.07 105.61 3hij h GLY 116 Ca 0.05 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3hij h GLY 116 CO 0.09 0.36 -0.11 -0.33 0.00 0.00 0.00 176.54 176.55 3hij h MET 117 N 0.74 0.82 -0.48 4.80 2.86 -0.51 -1.29 114.93 121.88 3hij h MET 117 Ca 0.20 -0.28 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3hij h MET 117 Cb 0.04 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 3hij h MET 117 CO -0.03 0.90 0.05 -0.92 1.06 0.00 0.00 176.91 177.97 3hij h TYR 118 N 0.74 0.07 -0.00 -0.22 3.20 -0.09 -0.39 116.97 120.27 3hij h TYR 118 Ca 0.12 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 3hij h TYR 118 Cb 0.61 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3hij h TYR 118 CO 0.03 -0.05 -0.58 1.96 -1.64 0.00 0.00 178.16 177.88 3hij h GLN 119 N 0.18 0.02 0.05 1.82 1.08 -0.77 -1.38 115.11 116.10 3hij h GLN 119 Ca 0.24 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3hij h GLN 119 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3hij h GLN 119 CO -0.35 0.60 -0.02 1.25 -0.95 0.00 0.00 178.83 179.35 3hij h HIS 120 N 0.01 -0.06 -0.38 2.96 2.76 -0.90 -1.84 115.15 117.70 3hij h HIS 120 Ca -0.01 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 3hij h HIS 120 Cb 1.04 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 3hij h HIS 120 CO 0.00 0.35 -0.32 0.74 -1.30 0.00 0.00 177.93 177.41 3hij h PHE 121 N -0.50 0.97 -0.65 5.26 0.04 -0.97 -2.12 116.94 118.97 3hij h PHE 121 Ca -0.01 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 3hij h PHE 121 Cb 0.44 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3hij h PHE 121 CO 0.07 1.04 0.35 -0.22 -0.60 0.00 0.00 178.31 178.95 3hij h LYS 122 N 0.70 0.91 -0.47 1.51 3.64 -1.28 -0.19 116.57 121.39 3hij h LYS 122 Ca 0.08 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3hij h LYS 122 Cb 0.87 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3hij h LYS 122 CO 0.08 0.69 0.06 0.00 -2.27 0.00 0.00 179.45 178.01 3hij h ALA 123 N 1.17 0.63 -0.22 5.00 0.00 -1.14 0.75 119.26 125.45 3hij h ALA 123 Ca 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hij h ALA 123 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hij h ALA 123 CO -0.04 0.37 -0.04 0.82 0.00 0.00 0.00 179.25 180.36 3hij h ILE 124 N 0.65 1.28 -0.74 0.00 2.04 -1.16 -2.94 117.51 116.64 3hij h ILE 124 Ca 0.14 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hij h ILE 124 Cb 0.41 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3hij h ILE 124 CO 0.01 0.31 0.49 0.00 0.00 0.00 0.00 178.15 178.96 3hij h ALA 125 N 0.75 1.52 0.00 1.87 0.00 -0.82 -1.81 119.26 120.78 3hij h ALA 125 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hij h ALA 125 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hij h ALA 125 CO 0.02 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.09 3hij n GLU 126 N -4.44 0.44 0.00 0.00 -0.58 0.24 -3.01 120.64 113.30 3hij n GLU 126 Ca 0.09 0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 3hij n GLU 126 Cb 0.08 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 29.76 3hij n GLU 126 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3hij n SER 127 N -1.27 1.08 -4.04 1.62 3.41 -0.68 -4.91 113.62 108.83 3hij n SER 127 Ca 0.14 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.73 3hij n SER 127 Cb 0.23 0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 3hij n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hij s THR 128 N -2.56 0.45 -1.84 6.66 -1.32 -1.16 -4.82 115.64 111.04 3hij s THR 128 Ca 0.22 -0.97 0.30 0.00 -1.21 0.00 0.00 61.69 60.03 3hij s THR 128 Cb 0.19 -0.52 0.64 0.00 -1.51 0.00 0.00 72.50 71.30 3hij s THR 128 CO 0.55 -0.36 2.01 -0.81 -2.21 0.00 0.00 174.62 173.80 3hij n PRO 129 N 1.62 0.88 -2.05 7.08 -0.04 -1.26 -4.92 135.00 136.30 3hij n PRO 129 Ca -0.22 -0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 62.71 3hij n PRO 129 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3hij n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hij s LEU 130 N -2.26 3.51 0.62 1.53 1.43 -1.26 -4.98 118.68 117.27 3hij s LEU 130 Ca 0.37 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 55.13 3hij s LEU 130 Cb 0.21 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 3hij s LEU 130 CO 0.42 -1.18 1.27 -2.84 0.23 0.00 0.00 176.35 174.25 3hij s PRO 131 N -4.02 2.75 -0.06 1.29 0.02 -1.26 -4.83 135.00 128.90 3hij s PRO 131 Ca 0.64 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3hij s PRO 131 Cb -0.17 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.44 3hij s PRO 131 CO 0.36 -1.43 -0.14 0.08 -0.33 0.00 0.00 177.00 175.54 3hij s VAL 132 N -1.44 1.26 -0.21 3.83 1.01 0.19 -2.16 120.40 122.88 3hij s VAL 132 Ca 0.80 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 3hij s VAL 132 Cb -0.36 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3hij s VAL 132 CO 0.38 0.38 0.04 -0.32 0.00 0.00 0.00 175.10 175.58 3hij s MET 133 N 0.44 3.71 0.68 2.72 1.75 0.29 -1.05 119.30 127.83 3hij s MET 133 Ca -0.11 -0.47 -0.12 0.00 -1.25 0.00 0.00 55.69 53.74 3hij s MET 133 Cb -0.14 -3.19 0.00 0.00 2.84 0.00 0.00 34.83 34.34 3hij s MET 133 CO 0.04 0.00 1.06 -0.51 -0.65 0.00 0.00 175.02 174.96 3hij s LEU 134 N 1.06 3.22 -0.27 4.11 1.43 -0.53 -0.95 118.68 126.75 3hij s LEU 134 Ca 0.03 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 54.78 3hij s LEU 134 Cb -0.14 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.67 3hij s LEU 134 CO 0.02 -1.42 0.15 -0.47 0.23 0.00 0.00 176.35 174.87 3hij s TYR 135 N -2.88 0.15 -0.20 0.29 5.04 -0.25 -4.31 117.35 115.18 3hij s TYR 135 Ca 0.60 -0.62 -0.18 0.00 -2.44 0.00 0.00 57.07 54.42 3hij s TYR 135 Cb -0.15 -0.77 -0.03 0.00 0.35 0.00 0.00 41.96 41.36 3hij s TYR 135 CO 0.50 -0.78 0.51 1.21 -1.34 0.00 0.00 175.55 175.66 3hij s ASN 136 N 2.16 6.56 -0.45 4.32 2.47 -1.26 -1.16 114.94 127.58 3hij s ASN 136 Ca 0.08 0.67 0.07 0.00 0.42 0.00 0.00 52.86 54.09 3hij s ASN 136 Cb -0.16 -2.29 0.24 0.00 -1.45 0.00 0.00 41.25 37.59 3hij s ASN 136 CO -0.31 -0.18 0.71 0.55 -3.72 0.00 0.00 177.10 174.15 3hij n VAL 137 N 4.54 -0.34 0.29 -5.21 3.14 -1.26 -0.80 118.33 118.69 3hij n VAL 137 Ca -0.05 -2.58 0.18 0.00 -2.96 0.00 0.00 64.34 58.93 3hij n VAL 137 Cb 0.50 -0.08 0.87 0.00 -1.06 0.00 0.00 33.84 34.08 3hij n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3hij h PRO 138 N 4.13 0.00 0.00 1.45 0.13 -1.81 0.24 132.00 136.14 3hij h PRO 138 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hij h PRO 138 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3hij h PRO 138 CO 0.37 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 3hij n GLY 139 N -0.49 -1.07 0.01 1.56 0.00 -1.26 -0.91 105.19 103.01 3hij n GLY 139 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3hij n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hij n ARG 140 N -1.75 2.01 0.00 1.61 1.74 -0.25 -4.81 116.66 115.21 3hij n ARG 140 Ca 0.03 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 3hij n ARG 140 Cb 0.18 -1.03 0.07 0.00 -1.02 0.00 0.00 32.46 30.66 3hij n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hij n SER 141 N -2.28 1.90 0.00 0.55 7.64 0.67 -4.74 113.62 117.35 3hij n SER 141 Ca -0.02 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.42 3hij n SER 141 Cb 0.54 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 3hij n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hij n ILE 142 N -0.08 0.00 -1.77 0.44 5.41 -0.09 -4.26 119.36 119.02 3hij n ILE 142 Ca 0.10 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.52 3hij n ILE 142 Cb 0.45 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.43 3hij n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3hij s VAL 143 N 0.00 3.34 -0.04 1.39 -7.23 -1.26 -4.74 120.40 111.87 3hij s VAL 143 Ca 0.00 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 3hij s VAL 143 Cb 0.00 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3hij s VAL 143 CO 0.00 -0.40 0.00 -1.58 -0.31 0.00 0.00 175.10 172.81 3hij s GLN 144 N -4.16 2.87 -0.55 4.82 0.74 -1.26 -3.91 119.66 118.22 3hij s GLN 144 Ca 0.66 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 55.26 3hij s GLN 144 Cb -0.20 -2.72 0.03 0.00 1.10 0.00 0.00 33.01 31.22 3hij s GLN 144 CO 0.42 0.66 1.17 0.42 -0.55 0.00 0.00 175.29 177.40 3hij s ILE 145 N -1.00 4.09 0.84 -2.34 1.01 -1.26 -4.94 121.20 117.60 3hij s ILE 145 Ca 0.17 0.96 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 3hij s ILE 145 Cb -0.11 -4.69 0.11 0.00 0.01 0.00 0.00 42.46 37.77 3hij s ILE 145 CO 0.07 -1.24 1.18 -0.94 0.00 0.00 0.00 174.94 174.01 3hij s SER 146 N 2.82 3.36 0.20 3.58 1.04 -1.26 -4.69 113.70 118.74 3hij s SER 146 Ca 0.44 2.30 -0.13 0.00 0.48 0.00 0.00 55.95 59.04 3hij s SER 146 Cb -0.08 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.69 3hij s SER 146 CO 0.27 -2.82 1.67 0.58 0.98 0.00 0.00 173.24 173.92 3hij h VAL 147 N -1.25 0.55 -0.93 5.02 2.07 -1.94 0.13 116.25 119.90 3hij h VAL 147 Ca -0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hij h VAL 147 Cb 1.29 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3hij h VAL 147 CO 0.44 0.02 0.59 0.44 0.02 0.00 0.00 177.57 179.08 3hij h ASP 148 N 0.11 1.10 -0.45 0.57 3.32 -1.99 0.14 116.42 119.21 3hij h ASP 148 Ca 0.28 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3hij h ASP 148 Cb 0.43 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3hij h ASP 148 CO -0.47 0.82 0.08 0.74 -1.72 0.00 0.00 179.24 178.69 3hij h THR 149 N 1.28 1.24 -0.14 0.35 2.02 -1.72 -0.35 112.91 115.59 3hij h THR 149 Ca 0.34 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3hij h THR 149 Cb -0.10 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hij h THR 149 CO -0.07 0.31 0.09 0.58 0.37 0.00 0.00 175.52 176.80 3hij h VAL 150 N 0.60 1.05 -0.48 3.16 2.07 0.16 -1.61 116.25 121.19 3hij h VAL 150 Ca 0.14 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3hij h VAL 150 Cb 0.36 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3hij h VAL 150 CO 0.01 0.05 0.31 0.58 0.02 0.00 0.00 177.57 178.53 3hij h VAL 151 N 0.17 1.09 -0.63 2.57 2.07 -0.61 0.20 116.25 121.11 3hij h VAL 151 Ca 0.05 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3hij h VAL 151 Cb 0.01 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 3hij h VAL 151 CO -0.01 0.11 0.32 0.03 0.02 0.00 0.00 177.57 178.04 3hij h ARG 152 N 0.62 0.56 -0.05 1.57 3.08 -0.89 -2.26 114.38 117.01 3hij h ARG 152 Ca 0.18 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 3hij h ARG 152 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3hij h ARG 152 CO -0.06 0.37 -0.65 -0.07 -1.07 0.00 0.00 179.97 178.49 3hij h LEU 153 N 0.57 0.25 -2.58 3.04 3.38 -0.54 -2.95 115.31 116.49 3hij h LEU 153 Ca 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hij h LEU 153 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hij h LEU 153 CO -0.22 0.83 0.00 0.77 0.09 0.00 0.00 178.44 179.91 3hij h SER 154 N 0.16 0.00 1.14 -0.43 4.64 -0.03 -0.28 113.55 118.74 3hij h SER 154 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hij h SER 154 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hij h SER 154 CO 0.10 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.73 3hij h GLU 155 N 0.00 0.00 -6.58 4.77 5.08 -1.37 -3.43 114.58 113.06 3hij h GLU 155 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3hij h GLU 155 Cb 0.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hij h GLU 155 CO 0.00 0.00 0.62 0.42 -1.00 0.00 0.00 179.01 179.05 3hij s ILE 156 N -3.38 3.57 0.20 3.13 1.01 -0.12 -4.94 121.20 120.66 3hij s ILE 156 Ca 0.05 1.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.78 3hij s ILE 156 Cb 0.09 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.93 3hij s ILE 156 CO 0.52 0.13 1.86 -0.08 0.00 0.00 0.00 174.94 177.37 3hij h GLU 157 N 6.20 0.94 -0.19 2.79 4.81 -1.87 -2.12 114.58 125.14 3hij h GLU 157 Ca -0.43 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hij h GLU 157 Cb 1.21 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3hij h GLU 157 CO 0.81 0.64 0.00 0.27 -0.73 0.00 0.00 179.01 179.99 3hij n ASN 158 N -4.58 1.54 -4.42 1.04 6.94 -1.26 -4.63 115.26 109.89 3hij n ASN 158 Ca 0.06 -1.75 -0.44 0.00 -0.02 0.00 0.00 54.58 52.43 3hij n ASN 158 Cb 0.03 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.26 3hij n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hij s ILE 159 N -1.76 5.01 -0.14 1.53 1.01 -0.80 0.57 121.20 126.61 3hij s ILE 159 Ca 0.29 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3hij s ILE 159 Cb 0.16 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3hij s ILE 159 CO 0.23 -0.75 0.13 1.33 0.00 0.00 0.00 174.94 175.88 3hij n VAL 160 N 5.46 0.00 -3.81 2.92 0.24 -0.22 -4.66 118.33 118.26 3hij n VAL 160 Ca -0.09 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 61.71 3hij n VAL 160 Cb 0.44 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 3hij n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hij s ALA 161 N -1.29 -1.31 0.00 2.33 0.00 -1.21 -1.50 121.76 118.79 3hij s ALA 161 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3hij s ALA 161 Cb 0.02 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.96 3hij s ALA 161 CO 0.12 -1.02 0.00 1.51 0.00 0.00 0.00 175.76 176.37 3hij n ILE 162 N -0.45 0.00 -3.15 0.00 3.06 -0.61 -1.45 119.36 116.75 3hij n ILE 162 Ca -0.05 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.25 3hij n ILE 162 Cb 0.60 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.77 3hij n ILE 162 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3hij s ASP 164 N 1.15 -0.57 -0.39 9.51 -1.08 0.11 0.79 116.67 126.21 3hij s ASP 164 Ca 0.00 0.18 0.05 0.00 -0.52 0.00 0.00 52.55 52.26 3hij s ASP 164 Cb 0.00 1.40 0.64 0.00 -1.46 0.00 0.00 42.92 43.50 3hij s ASP 164 CO 0.00 -0.10 1.82 0.00 0.52 0.00 0.00 175.17 177.41 3hij n ALA 165 N 5.29 5.15 1.25 3.66 0.00 0.02 -0.61 120.51 135.27 3hij n ALA 165 Ca 0.02 -2.55 0.13 0.00 0.00 0.00 0.00 53.44 51.04 3hij n ALA 165 Cb 0.56 -1.37 0.66 0.00 0.00 0.00 0.00 19.45 19.29 3hij n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hij n GLY 166 N -0.80 -1.10 2.38 0.00 0.00 -1.25 -4.57 105.19 99.85 3hij n GLY 166 Ca 0.51 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 3hij n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hij n GLY 167 N 0.86 1.15 2.78 -0.02 0.00 -1.26 -4.97 105.19 103.73 3hij n GLY 167 Ca 0.13 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3hij n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hij s ASP 168 N -2.75 4.08 0.14 1.61 -1.08 -1.26 -4.99 116.67 112.42 3hij s ASP 168 Ca 0.00 -1.66 0.20 0.00 -0.52 0.00 0.00 52.55 50.57 3hij s ASP 168 Cb 0.00 -0.97 0.83 0.00 -1.46 0.00 0.00 42.92 41.32 3hij s ASP 168 CO 0.00 -0.40 1.61 1.33 0.52 0.00 0.00 175.17 178.23 3hij n VAL 169 N 4.77 0.88 0.03 1.11 0.24 -1.26 -2.73 118.33 121.37 3hij n VAL 169 Ca -0.02 0.22 -0.17 0.00 -2.04 0.00 0.00 64.34 62.33 3hij n VAL 169 Cb 0.42 -1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 31.66 3hij n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hij h LEU 170 N 0.00 0.80 -0.54 1.34 3.38 -1.98 0.18 115.31 118.48 3hij h LEU 170 Ca 0.00 -0.60 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 3hij h LEU 170 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hij h LEU 170 CO 0.00 1.40 -0.21 0.71 0.09 0.00 0.00 178.44 180.42 3hij h THR 171 N 0.38 1.27 -0.82 0.22 1.35 -1.98 -1.25 112.91 112.07 3hij h THR 171 Ca -0.09 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 3hij h THR 171 Cb 1.57 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 69.09 3hij h THR 171 CO 0.18 0.47 0.47 0.24 -0.25 0.00 0.00 175.52 176.63 3hij h MET 172 N 0.82 1.14 -0.41 4.72 2.86 -1.46 0.11 114.93 122.70 3hij h MET 172 Ca 0.11 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3hij h MET 172 Cb 0.78 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3hij h MET 172 CO 0.06 0.83 0.02 1.15 1.06 0.00 0.00 176.91 180.03 3hij h THR 173 N 1.14 0.71 -0.43 2.22 2.02 -0.19 0.13 112.91 118.50 3hij h THR 173 Ca 0.29 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 67.28 3hij h THR 173 Cb 0.01 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hij h THR 173 CO -0.05 0.02 -0.30 -0.08 0.37 0.00 0.00 175.52 175.49 3hij h GLU 174 N 0.13 0.96 -0.35 6.66 4.81 -0.57 0.53 114.58 126.75 3hij h GLU 174 Ca 0.20 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3hij h GLU 174 Cb 0.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3hij h GLU 174 CO -0.32 1.12 0.13 0.82 -0.73 0.00 0.00 179.01 180.03 3hij h ILE 175 N 0.79 0.92 -0.19 2.32 2.04 -0.43 -0.72 117.51 122.25 3hij h ILE 175 Ca 0.08 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3hij h ILE 175 Cb 0.88 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3hij h ILE 175 CO 0.08 0.05 -0.04 0.40 0.00 0.00 0.00 178.15 178.65 3hij h ILE 176 N 0.29 0.83 -0.49 -0.67 2.04 -0.27 -2.10 117.51 117.13 3hij h ILE 176 Ca 0.16 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3hij h ILE 176 Cb 0.12 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hij h ILE 176 CO -0.15 0.00 0.31 -0.08 0.00 0.00 0.00 178.15 178.23 3hij h GLU 177 N 0.01 0.66 0.00 2.37 4.81 -0.60 -3.23 114.58 118.60 3hij h GLU 177 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hij h GLU 177 Cb 0.13 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3hij h GLU 177 CO -0.18 0.47 -0.40 0.87 -0.73 0.00 0.00 179.01 179.04 3hij h LYS 178 N 0.66 0.00 -6.52 1.92 1.57 -0.96 -3.45 116.57 109.79 3hij h LYS 178 Ca 0.18 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.47 3hij h LYS 178 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hij h LYS 178 CO -0.04 0.00 -0.18 0.95 -0.57 0.00 0.00 179.45 179.62 3hij s THR 179 N -3.21 5.09 1.24 -0.16 -4.23 -0.80 -5.01 115.64 108.56 3hij s THR 179 Ca 0.06 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 3hij s THR 179 Cb 0.10 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.41 3hij s THR 179 CO 0.70 -0.52 1.00 0.00 -0.54 0.00 0.00 174.62 175.25 3hij s ALA 180 N -2.28 -0.72 -0.34 3.99 0.00 -1.26 -4.92 121.76 116.22 3hij s ALA 180 Ca 0.41 -0.30 0.26 0.00 0.00 0.00 0.00 51.96 52.33 3hij s ALA 180 Cb -0.10 -3.18 0.75 0.00 0.00 0.00 0.00 23.12 20.60 3hij s ALA 180 CO 0.35 -4.12 1.75 -0.44 0.00 0.00 0.00 175.76 173.30 3hij h ASP 181 N -2.88 0.00 -0.21 0.00 3.32 -1.97 -2.93 116.42 111.75 3hij h ASP 181 Ca -0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3hij h ASP 181 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3hij h ASP 181 CO 0.46 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.08 3hij n ASP 182 N -2.89 1.64 -4.51 6.45 5.75 -1.26 -4.74 116.55 116.99 3hij n ASP 182 Ca 0.03 -1.78 -0.39 0.00 -0.01 0.00 0.00 54.79 52.64 3hij n ASP 182 Cb 0.43 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 3hij n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3hij s PHE 183 N -1.73 3.20 -0.18 2.11 5.36 -1.11 -4.88 117.98 120.76 3hij s PHE 183 Ca 0.29 -0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 55.84 3hij s PHE 183 Cb 0.16 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 3hij s PHE 183 CO 0.23 -0.35 0.37 0.00 -1.46 0.00 0.00 175.22 174.01 3hij s ALA 184 N 1.69 3.56 -0.24 11.12 0.00 -0.56 -4.93 121.76 132.40 3hij s ALA 184 Ca 0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 3hij s ALA 184 Cb -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 3hij s ALA 184 CO 0.09 -0.17 0.07 0.08 0.00 0.00 0.00 175.76 175.83 3hij s VAL 185 N 1.02 4.40 0.01 0.00 1.01 -1.26 -1.57 120.40 124.01 3hij s VAL 185 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3hij s VAL 185 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3hij s VAL 185 CO 0.07 0.36 0.05 -0.31 0.00 0.00 0.00 175.10 175.27 3hij s TYR 186 N 1.40 3.19 0.44 5.22 2.02 0.24 -0.81 117.35 129.04 3hij s TYR 186 Ca 0.05 0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.66 3hij s TYR 186 Cb -0.15 -1.69 -0.08 0.00 -0.40 0.00 0.00 41.96 39.64 3hij s TYR 186 CO 0.04 0.51 1.09 0.45 -1.57 0.00 0.00 175.55 176.07 3hij s SER 187 N -1.75 6.44 -0.06 2.29 0.15 -0.13 0.10 113.70 120.74 3hij s SER 187 Ca 0.22 2.12 0.14 0.00 0.70 0.00 0.00 55.95 59.14 3hij s SER 187 Cb -0.12 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 62.06 3hij s SER 187 CO 0.13 -0.72 1.38 0.61 1.20 0.00 0.00 173.24 175.85 3hij n GLY 188 N 0.29 3.02 2.97 9.45 0.00 0.21 -0.65 105.19 120.48 3hij n GLY 188 Ca 0.07 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3hij n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hij s ASP 189 N -1.19 3.43 0.27 1.61 1.01 -1.26 -4.67 116.67 115.87 3hij s ASP 189 Ca 0.34 -0.93 -0.01 0.00 0.71 0.00 0.00 52.55 52.67 3hij s ASP 189 Cb 0.21 -1.18 0.56 0.00 1.01 0.00 0.00 42.92 43.53 3hij s ASP 189 CO 0.17 -0.17 1.74 0.44 0.21 0.00 0.00 175.17 177.56 3hij h ASP 190 N 7.99 0.41 0.30 0.27 3.32 -1.91 -0.00 116.42 126.79 3hij h ASP 190 Ca -0.25 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hij h ASP 190 Cb 1.09 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3hij h ASP 190 CO 0.45 0.13 -0.08 1.23 -1.72 0.00 0.00 179.24 179.26 3hij h GLY 191 N 0.52 0.00 -1.33 2.75 0.00 -1.93 -1.82 103.07 101.26 3hij h GLY 191 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hij h GLY 191 CO -0.42 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.16 3hij n LEU 192 N -3.58 2.27 -0.14 3.11 4.77 -0.02 -4.46 117.00 118.95 3hij n LEU 192 Ca -0.02 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.92 3hij n LEU 192 Cb 0.19 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3hij n LEU 192 CO 0.28 0.48 0.60 0.74 -1.33 0.00 0.00 177.39 178.16 3hij h THR 193 N 3.00 0.15 0.03 -5.08 2.02 -1.27 0.19 112.91 111.96 3hij h THR 193 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hij h THR 193 Cb 0.66 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3hij h THR 193 CO 0.00 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.12 3hij h LEU 194 N -0.28 -0.04 -1.15 2.58 5.85 -1.83 0.46 115.31 120.90 3hij h LEU 194 Ca 0.16 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3hij h LEU 194 Cb 0.57 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hij h LEU 194 CO -0.58 0.24 -0.26 1.55 -0.34 0.00 0.00 178.44 179.05 3hij h PRO 195 N -0.32 0.00 -0.29 5.25 0.13 -1.80 -0.61 132.00 134.36 3hij h PRO 195 Ca -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 3hij h PRO 195 Cb 0.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 3hij h PRO 195 CO 0.01 0.26 -0.33 0.00 -0.23 0.00 0.00 178.00 177.71 3hij h ALA 196 N 1.74 0.43 -0.19 -0.56 0.00 -0.47 -2.93 119.26 117.27 3hij h ALA 196 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3hij h ALA 196 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hij h ALA 196 CO 0.03 0.48 -0.35 0.52 0.00 0.00 0.00 179.25 179.93 3hij h MET 197 N 0.48 0.40 -0.96 0.00 2.86 -0.52 0.51 114.93 117.70 3hij h MET 197 Ca 0.04 -0.18 0.21 0.00 -2.06 0.00 0.00 59.70 57.71 3hij h MET 197 Cb 0.91 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.48 3hij h MET 197 CO 0.08 0.71 0.62 0.00 1.06 0.00 0.00 176.91 179.37 3hij h ALA 198 N 1.28 2.04 -0.14 6.32 0.00 -0.97 -0.76 119.26 127.02 3hij h ALA 198 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hij h ALA 198 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hij h ALA 198 CO 0.06 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.28 3hij n VAL 199 N -4.61 0.17 0.00 0.00 0.24 -0.95 -4.92 118.33 108.26 3hij n VAL 199 Ca 0.22 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3hij n VAL 199 Cb 0.68 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3hij n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 200 N 1.25 1.33 3.76 7.63 0.00 -0.29 -4.87 105.19 114.01 3hij n GLY 200 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3hij n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hij s ALA 201 N -2.00 3.12 0.18 4.61 0.00 0.13 -4.81 121.76 122.99 3hij s ALA 201 Ca 0.00 1.27 0.21 0.00 0.00 0.00 0.00 51.96 53.44 3hij s ALA 201 Cb 0.00 -3.52 0.83 0.00 0.00 0.00 0.00 23.12 20.43 3hij s ALA 201 CO 0.00 -1.01 1.80 -0.22 0.00 0.00 0.00 175.76 176.32 3hij h LYS 202 N 2.24 0.00 0.00 0.00 3.64 -1.30 -3.39 116.57 117.77 3hij h LYS 202 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hij h LYS 202 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3hij h LYS 202 CO 0.61 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 178.49 3hij n GLY 203 N 0.11 -0.53 3.05 5.01 0.00 -1.26 -4.45 105.19 107.12 3hij n GLY 203 Ca -0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 3hij n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hij s ILE 204 N -3.73 0.82 -0.39 -0.61 1.10 -0.20 -0.96 121.20 117.23 3hij s ILE 204 Ca 0.00 -0.48 -0.13 0.00 -0.51 0.00 0.00 60.65 59.53 3hij s ILE 204 Cb 0.00 -0.69 0.02 0.00 0.15 0.00 0.00 42.46 41.93 3hij s ILE 204 CO 0.00 0.21 0.26 -0.69 -2.11 0.00 0.00 174.94 172.61 3hij s VAL 205 N -0.29 5.02 0.11 4.00 1.01 0.17 -1.52 120.40 128.91 3hij s VAL 205 Ca 0.04 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hij s VAL 205 Cb -0.04 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3hij s VAL 205 CO -0.00 -0.24 -0.03 -0.55 0.00 0.00 0.00 175.10 174.29 3hij s SER 206 N 1.64 4.82 -0.17 3.32 0.15 0.96 -4.49 113.70 119.92 3hij s SER 206 Ca 0.04 -0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 3hij s SER 206 Cb -0.19 -1.07 -0.11 0.00 -1.71 0.00 0.00 66.02 62.95 3hij s SER 206 CO 0.09 0.16 -0.17 0.52 1.20 0.00 0.00 173.24 175.04 3hij n VAL 207 N 0.47 0.98 0.29 4.45 0.31 -1.26 -0.89 118.33 122.68 3hij n VAL 207 Ca -0.11 -0.35 0.17 0.00 -0.01 0.00 0.00 64.34 64.04 3hij n VAL 207 Cb 0.53 -1.21 0.69 0.00 -0.91 0.00 0.00 33.84 32.94 3hij n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hij h ALA 208 N -0.11 1.00 0.00 3.52 0.00 -1.97 -2.44 119.26 119.25 3hij h ALA 208 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hij h ALA 208 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hij h ALA 208 CO -0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3hij n SER 209 N -3.01 0.07 0.19 0.00 3.41 -1.26 -1.01 113.62 112.00 3hij n SER 209 Ca 0.01 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 3hij n SER 209 Cb 0.29 -0.54 0.38 0.00 -0.26 0.00 0.00 64.21 64.07 3hij n SER 209 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hij h HIS 210 N 0.00 0.00 0.00 7.33 3.86 -1.76 -2.95 115.15 121.63 3hij h HIS 210 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hij h HIS 210 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3hij h HIS 210 CO 0.00 0.37 -0.93 1.33 0.86 0.00 0.00 177.93 179.55 3hij n VAL 211 N -4.00 0.00 -2.40 2.45 0.24 -0.34 -4.84 118.33 109.44 3hij n VAL 211 Ca -0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.22 3hij n VAL 211 Cb 0.41 0.26 0.05 0.00 -1.47 0.00 0.00 33.84 33.10 3hij n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3hij n ILE 212 N -1.47 1.55 -0.31 1.34 -5.35 -0.18 -4.91 119.36 110.03 3hij n ILE 212 Ca 0.00 -3.04 0.04 0.00 -0.27 0.00 0.00 62.75 59.48 3hij n ILE 212 Cb 0.07 0.35 0.19 0.00 -1.74 0.00 0.00 39.64 38.51 3hij n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3hij h GLY 213 N 2.04 1.39 1.08 3.28 0.00 -1.66 -1.30 103.07 107.89 3hij h GLY 213 Ca 0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3hij h GLY 213 CO 0.32 0.15 -0.17 3.43 0.00 0.00 0.00 176.54 180.27 3hij h ASN 214 N 0.86 0.98 -0.40 0.19 2.35 -1.87 0.18 115.58 117.87 3hij h ASN 214 Ca 0.43 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3hij h ASN 214 Cb 0.39 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3hij h ASN 214 CO -0.25 1.14 0.21 -0.33 -1.65 0.00 0.00 177.43 176.55 3hij h GLU 215 N 0.81 0.61 -0.21 0.81 3.07 -1.86 -0.51 114.58 117.30 3hij h GLU 215 Ca 0.11 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 3hij h GLU 215 Cb 0.74 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3hij h GLU 215 CO 0.06 0.48 -0.28 0.52 -1.40 0.00 0.00 179.01 178.39 3hij h MET 216 N 0.61 0.56 -0.82 2.33 2.86 -0.86 -0.17 114.93 119.45 3hij h MET 216 Ca 0.15 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3hij h MET 216 Cb 0.07 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3hij h MET 216 CO -0.02 0.92 0.48 0.37 1.06 0.00 0.00 176.91 179.72 3hij h GLN 217 N 0.24 1.13 -0.33 1.72 4.15 -0.59 0.16 115.11 121.59 3hij h GLN 217 Ca 0.03 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 3hij h GLN 217 Cb 0.85 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3hij h GLN 217 CO 0.07 0.80 -0.31 0.93 -1.93 0.00 0.00 178.83 178.39 3hij h GLU 218 N 1.13 0.71 0.27 1.69 5.08 -0.87 -1.41 114.58 121.18 3hij h GLU 218 Ca 0.29 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hij h GLU 218 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hij h GLU 218 CO -0.05 0.93 -0.19 1.98 -1.00 0.00 0.00 179.01 180.68 3hij h MET 219 N 0.60 -0.44 -0.33 2.33 4.05 -0.37 0.14 114.93 120.91 3hij h MET 219 Ca 0.07 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3hij h MET 219 Cb 0.83 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 3hij h MET 219 CO 0.07 -0.29 0.20 0.82 0.23 0.00 0.00 176.91 177.94 3hij h ILE 220 N -0.45 1.04 -0.60 1.77 2.04 -0.79 0.05 117.51 120.57 3hij h ILE 220 Ca -0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3hij h ILE 220 Cb 0.39 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3hij h ILE 220 CO 0.01 0.07 0.21 0.00 0.00 0.00 0.00 178.15 178.45 3hij h ALA 221 N 1.14 1.24 -0.57 1.87 0.00 -1.12 -1.13 119.26 120.70 3hij h ALA 221 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hij h ALA 221 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hij h ALA 221 CO -0.06 0.54 0.25 0.00 0.00 0.00 0.00 179.25 179.98 3hij h ALA 222 N 1.36 0.74 0.10 0.00 0.00 -0.18 -1.99 119.26 119.29 3hij h ALA 222 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hij h ALA 222 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hij h ALA 222 CO -0.01 0.34 -0.05 0.35 0.00 0.00 0.00 179.25 179.87 3hij h PHE 223 N 0.79 -0.14 0.00 0.00 3.57 -0.69 0.31 116.94 120.78 3hij h PHE 223 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hij h PHE 223 Cb 0.17 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3hij h PHE 223 CO 0.00 -0.09 -0.12 1.96 -2.23 0.00 0.00 178.31 177.84 3hij h GLN 224 N -0.14 0.00 -0.46 1.11 4.20 -1.11 -0.97 115.11 117.73 3hij h GLN 224 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hij h GLN 224 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3hij h GLN 224 CO 0.02 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3hij n ALA 225 N -2.24 2.63 -1.37 3.87 0.00 -0.76 -4.92 120.51 117.72 3hij n ALA 225 Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 3hij n ALA 225 Cb 0.26 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3hij n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hij n GLY 226 N 0.83 1.32 2.97 0.00 0.00 -0.37 -4.92 105.19 105.02 3hij n GLY 226 Ca 0.11 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3hij n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hij n GLU 227 N -1.99 3.49 -0.09 1.61 1.02 0.11 -4.84 120.64 119.95 3hij n GLU 227 Ca -0.13 -3.47 -0.11 0.00 -0.02 0.00 0.00 57.16 53.43 3hij n GLU 227 Cb 0.50 -3.00 0.03 0.00 -0.02 0.00 0.00 31.44 28.95 3hij n GLU 227 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3hij h PHE 228 N 6.06 0.98 -0.31 -0.32 0.04 -1.89 -0.24 116.94 121.25 3hij h PHE 228 Ca 0.40 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 3hij h PHE 228 Cb 0.68 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3hij h PHE 228 CO 1.25 1.06 -0.09 1.57 -0.60 0.00 0.00 178.31 181.51 3hij h LYS 229 N 0.68 0.52 -0.09 1.51 -0.00 -1.96 -0.13 116.57 117.11 3hij h LYS 229 Ca 0.06 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.65 60.54 3hij h LYS 229 Cb 0.93 -0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 33.09 3hij h LYS 229 CO 0.09 0.61 -0.08 -0.22 -0.00 0.00 0.00 179.45 179.85 3hij h LYS 230 N 0.49 0.20 -0.94 0.07 3.11 -1.81 -2.24 116.57 115.45 3hij h LYS 230 Ca 0.09 -0.10 0.08 0.00 -2.81 0.00 0.00 60.65 57.91 3hij h LYS 230 Cb 0.45 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.61 3hij h LYS 230 CO 0.02 0.62 0.61 0.00 -2.81 0.00 0.00 179.45 177.89 3hij h ALA 231 N 0.58 1.50 -0.17 5.00 0.00 -0.86 -2.32 119.26 123.00 3hij h ALA 231 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3hij h ALA 231 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hij h ALA 231 CO 0.02 0.34 -0.55 1.96 0.00 0.00 0.00 179.25 181.02 3hij h GLN 232 N 1.05 0.50 -0.23 0.00 4.20 -0.94 -0.39 115.11 119.29 3hij h GLN 232 Ca 0.42 -0.31 -0.17 0.00 0.06 0.00 0.00 58.65 58.64 3hij h GLN 232 Cb 0.25 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hij h GLN 232 CO -0.17 0.92 -0.55 -0.22 -0.67 0.00 0.00 178.83 178.13 3hij h LYS 233 N 0.38 0.69 -0.33 1.46 3.64 -0.94 -1.61 116.57 119.87 3hij h LYS 233 Ca 0.01 -0.44 -0.12 0.00 -1.27 0.00 0.00 60.65 58.83 3hij h LYS 233 Cb 1.08 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3hij h LYS 233 CO 0.10 1.06 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.99 3hij h LEU 234 N 0.53 0.69 -0.75 5.20 3.38 -1.21 -2.58 115.31 120.56 3hij h LEU 234 Ca 0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hij h LEU 234 Cb 1.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3hij h LEU 234 CO 0.11 0.94 0.49 -0.74 0.09 0.00 0.00 178.44 179.33 3hij h HIS 235 N 0.58 0.92 -0.59 1.13 2.76 -0.94 0.15 115.15 119.16 3hij h HIS 235 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3hij h HIS 235 Cb 0.77 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3hij h HIS 235 CO 0.04 0.55 0.37 1.96 -1.30 0.00 0.00 177.93 179.55 3hij h GLN 236 N 0.98 0.78 -0.06 5.26 4.20 -1.04 0.18 115.11 125.42 3hij h GLN 236 Ca 0.29 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3hij h GLN 236 Cb -0.05 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 3hij h GLN 236 CO -0.09 0.54 0.02 1.25 -0.67 0.00 0.00 178.83 179.89 3hij h LEU 237 N 0.79 0.03 -0.54 1.46 5.85 -1.03 -2.14 115.31 119.74 3hij h LEU 237 Ca 0.21 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3hij h LEU 237 Cb -0.05 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3hij h LEU 237 CO -0.04 0.03 0.22 0.25 -0.34 0.00 0.00 178.44 178.56 3hij h LEU 238 N 0.06 0.26 -0.50 2.25 5.85 -0.24 -0.17 115.31 122.82 3hij h LEU 238 Ca 0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hij h LEU 238 Cb 0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hij h LEU 238 CO -0.02 0.17 0.28 0.58 -0.34 0.00 0.00 178.44 179.12 3hij h VAL 239 N 0.42 1.17 -0.04 1.05 2.07 -0.47 0.25 116.25 120.69 3hij h VAL 239 Ca 0.26 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3hij h VAL 239 Cb 0.25 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3hij h VAL 239 CO -0.24 0.18 0.01 -0.09 0.02 0.00 0.00 177.57 177.45 3hij h ARG 240 N 0.67 0.07 -0.50 1.57 2.43 -1.02 -1.83 114.38 115.76 3hij h ARG 240 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3hij h ARG 240 Cb 0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hij h ARG 240 CO -0.03 0.27 0.05 0.28 -1.51 0.00 0.00 179.97 179.03 3hij h VAL 241 N -0.15 1.26 -0.60 0.20 2.07 -0.94 -2.48 116.25 115.61 3hij h VAL 241 Ca 0.01 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3hij h VAL 241 Cb 0.23 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3hij h VAL 241 CO 0.00 0.35 0.38 0.74 0.02 0.00 0.00 177.57 179.06 3hij h THR 242 N 0.72 1.09 -0.35 2.57 2.02 -0.90 -1.92 112.91 116.13 3hij h THR 242 Ca 0.15 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3hij h THR 242 Cb 0.45 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 3hij h THR 242 CO 0.02 0.14 -0.06 0.44 0.37 0.00 0.00 175.52 176.42 3hij h ASP 243 N 0.75 -0.27 0.54 4.18 3.32 -1.16 -0.23 116.42 123.55 3hij h ASP 243 Ca 0.24 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 3hij h ASP 243 Cb -0.00 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hij h ASP 243 CO -0.09 -0.09 -0.04 0.77 -1.72 0.00 0.00 179.24 178.06 3hij h SER 244 N 0.03 0.00 0.35 6.45 4.64 -1.09 -1.94 113.55 121.99 3hij h SER 244 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hij h SER 244 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hij h SER 244 CO -0.34 0.04 -0.09 0.18 -0.87 0.00 0.00 176.83 175.76 3hij n LEU 245 N -3.26 0.41 -0.19 5.97 4.32 -0.12 -3.58 117.00 120.56 3hij n LEU 245 Ca -0.01 0.03 0.09 0.00 -0.02 0.00 0.00 56.01 56.09 3hij n LEU 245 Cb 0.22 -0.18 0.14 0.00 -1.62 0.00 0.00 43.42 41.99 3hij n LEU 245 CO 0.26 0.08 0.51 0.49 -1.22 0.00 0.00 177.39 177.51 3hij n PHE 246 N -0.96 0.00 0.54 -1.77 3.72 -0.74 -4.48 117.46 113.77 3hij n PHE 246 Ca 0.15 -1.00 0.13 0.00 -0.05 0.00 0.00 57.45 56.68 3hij n PHE 246 Cb 0.26 -0.16 0.39 0.00 -0.94 0.00 0.00 39.48 39.04 3hij n PHE 246 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3hij h MET 247 N 0.15 0.00 -4.86 -1.08 2.86 -1.59 -3.44 114.93 106.97 3hij h MET 247 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 3hij h MET 247 Cb 1.04 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.55 3hij h MET 247 CO 0.00 0.00 -0.62 0.00 1.06 0.00 0.00 176.91 177.35 3hij s ALA 248 N -3.15 1.63 0.22 6.32 0.00 -1.26 -5.12 121.76 120.40 3hij s ALA 248 Ca 0.09 -1.81 -0.32 0.00 0.00 0.00 0.00 51.96 49.92 3hij s ALA 248 Cb 0.11 0.98 -0.13 0.00 0.00 0.00 0.00 23.12 24.08 3hij s ALA 248 CO 0.58 -0.44 1.60 -2.30 0.00 0.00 0.00 175.76 175.20 3hij n PRO 249 N -0.41 2.48 -2.42 0.00 -0.02 -1.26 -4.71 135.00 128.65 3hij n PRO 249 Ca -0.01 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 61.98 3hij n PRO 249 Cb 0.66 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 3hij n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hij s SER 250 N 0.79 6.68 -0.22 2.55 0.15 -1.26 -2.89 113.70 119.51 3hij s SER 250 Ca 0.72 2.20 0.15 0.00 0.70 0.00 0.00 55.95 59.72 3hij s SER 250 Cb -0.57 -2.60 0.58 0.00 -1.71 0.00 0.00 66.02 61.72 3hij s SER 250 CO 0.41 -0.55 1.51 -0.81 1.20 0.00 0.00 173.24 174.99 3hij n PRO 251 N 0.10 3.07 -0.20 5.44 -0.04 -1.26 -4.95 135.00 137.16 3hij n PRO 251 Ca 0.04 -2.96 0.01 0.00 -0.04 0.00 0.00 63.50 60.56 3hij n PRO 251 Cb 0.48 -1.93 0.12 0.00 -0.04 0.00 0.00 33.50 32.12 3hij n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hij h THR 252 N 2.02 0.67 -0.29 0.52 2.02 -1.86 -0.03 112.91 115.96 3hij h THR 252 Ca 0.06 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 3hij h THR 252 Cb 1.65 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3hij h THR 252 CO 0.34 0.06 -0.32 -0.65 0.37 0.00 0.00 175.52 175.31 3hij h PRO 253 N 0.31 0.62 -0.26 6.66 0.11 -1.79 -0.42 132.00 137.23 3hij h PRO 253 Ca 0.32 -0.28 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 3hij h PRO 253 Cb 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3hij h PRO 253 CO -0.38 0.86 -0.34 -0.24 -0.21 0.00 0.00 178.00 177.69 3hij h VAL 254 N 0.52 1.29 -0.78 3.15 3.04 -1.67 0.30 116.25 122.09 3hij h VAL 254 Ca 0.06 -1.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 3hij h VAL 254 Cb 0.81 1.46 -0.04 0.00 -2.01 0.00 0.00 31.29 31.51 3hij h VAL 254 CO 0.07 0.46 0.43 0.11 -1.01 0.00 0.00 177.57 177.63 3hij h LYS 255 N 0.48 1.09 -0.33 4.17 1.57 -0.79 -0.22 116.57 122.54 3hij h LYS 255 Ca 0.05 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 3hij h LYS 255 Cb 0.82 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3hij h LYS 255 CO 0.07 0.80 -0.04 1.15 -0.57 0.00 0.00 179.45 180.86 3hij h THR 256 N 1.08 1.27 -0.57 -0.16 2.02 -0.64 -2.18 112.91 113.74 3hij h THR 256 Ca 0.28 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.43 3hij h THR 256 Cb 0.03 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3hij h THR 256 CO -0.04 0.35 0.33 0.00 0.37 0.00 0.00 175.52 176.52 3hij h ALA 257 N 0.83 0.74 -0.43 6.16 0.00 -0.17 -0.27 119.26 126.11 3hij h ALA 257 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hij h ALA 257 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3hij h ALA 257 CO 0.03 0.02 0.22 -0.07 0.00 0.00 0.00 179.25 179.45 3hij h LEU 258 N 0.63 0.33 -1.06 0.00 3.38 -0.89 -1.67 115.31 116.03 3hij h LEU 258 Ca 0.24 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3hij h LEU 258 Cb 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3hij h LEU 258 CO -0.13 0.24 0.39 -0.61 0.09 0.00 0.00 178.44 178.41 3hij h GLN 259 N 0.45 1.05 0.00 1.13 -0.00 -0.70 -0.30 115.11 116.73 3hij h GLN 259 Ca 0.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 3hij h GLN 259 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.36 3hij h GLN 259 CO -0.12 0.79 -0.11 0.52 0.00 0.00 0.00 178.83 179.91 3hij h MET 260 N 1.05 0.00 -0.67 1.69 2.86 -0.18 -2.30 114.93 117.38 3hij h MET 260 Ca 0.26 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.61 3hij h MET 260 Cb 0.06 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.55 3hij h MET 260 CO -0.04 0.11 0.27 1.33 1.06 0.00 0.00 176.91 179.64 3hij n VAL 261 N -3.60 2.86 -0.65 -2.22 0.24 -0.74 -4.94 118.33 109.29 3hij n VAL 261 Ca -0.02 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 60.19 3hij n VAL 261 Cb 0.23 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 3hij n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 262 N -0.82 0.79 3.00 7.63 0.00 -0.86 -5.01 105.19 109.92 3hij n GLY 262 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 3hij n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hij s LEU 263 N 0.00 4.67 -0.23 0.99 0.20 -0.20 -4.98 118.68 119.13 3hij s LEU 263 Ca 0.00 -3.06 -0.29 0.00 0.69 0.00 0.00 54.13 51.47 3hij s LEU 263 Cb 0.00 -1.72 0.00 0.00 -0.43 0.00 0.00 46.19 44.05 3hij s LEU 263 CO 0.00 -0.26 1.14 -0.62 -0.29 0.00 0.00 176.35 176.32 3hij s ASP 264 N -0.08 6.99 -0.16 3.68 -1.08 -1.26 -2.55 116.67 122.20 3hij s ASP 264 Ca 0.18 1.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.79 3hij s ASP 264 Cb -0.22 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.05 3hij s ASP 264 CO -0.03 -0.77 1.20 1.33 0.52 0.00 0.00 175.17 177.42 3hij n VAL 265 N 5.50 2.03 -4.36 1.11 0.24 -1.26 -4.98 118.33 116.61 3hij n VAL 265 Ca 0.13 -2.55 0.00 0.00 -2.04 0.00 0.00 64.34 59.88 3hij n VAL 265 Cb 0.46 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3hij n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 266 N -1.29 -0.68 0.00 7.63 0.00 -1.23 -1.68 105.19 107.95 3hij n GLY 266 Ca 0.18 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hij n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hij n SER 267 N -1.05 0.49 -4.51 1.61 2.88 -1.26 -4.76 113.62 107.02 3hij n SER 267 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 3hij n SER 267 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3hij n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3hij s VAL 268 N 1.82 1.75 -0.05 2.46 -7.23 -1.26 -4.55 120.40 113.35 3hij s VAL 268 Ca 0.00 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 57.97 3hij s VAL 268 Cb 0.00 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3hij s VAL 268 CO 0.00 -0.13 0.30 -0.13 -0.31 0.00 0.00 175.10 174.83 3hij s ARG 269 N -3.74 3.73 0.15 4.82 0.52 -1.26 -4.86 118.95 118.31 3hij s ARG 269 Ca 0.33 0.20 -0.33 0.00 -0.52 0.00 0.00 55.73 55.41 3hij s ARG 269 Cb 0.06 -3.21 -0.17 0.00 0.52 0.00 0.00 34.95 32.16 3hij s ARG 269 CO 0.15 0.73 1.07 1.28 0.02 0.00 0.00 175.30 178.55 3hij n LEU 270 N 1.87 0.96 -0.19 2.53 4.77 -1.26 -0.93 117.00 124.75 3hij n LEU 270 Ca -0.16 1.14 0.12 0.00 -0.03 0.00 0.00 56.01 57.08 3hij n LEU 270 Cb 0.53 -1.14 0.62 0.00 -2.33 0.00 0.00 43.42 41.10 3hij n LEU 270 CO 0.35 -1.59 0.91 -0.81 -1.33 0.00 0.00 177.39 174.92 3hij n PRO 271 N 1.63 1.25 -2.64 3.23 -0.04 -1.26 -4.95 135.00 132.23 3hij n PRO 271 Ca 0.16 -0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 3hij n PRO 271 Cb 0.22 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 3hij n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hij s LEU 272 N -1.75 3.76 0.11 1.53 1.43 -0.11 -5.08 118.68 118.56 3hij s LEU 272 Ca 0.36 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 3hij s LEU 272 Cb 0.17 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 3hij s LEU 272 CO 0.28 -0.47 -0.13 -0.76 0.23 0.00 0.00 176.35 175.50 3hij s LEU 273 N -3.79 2.37 0.75 1.79 1.43 -1.26 -4.48 118.68 115.49 3hij s LEU 273 Ca 0.57 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 3hij s LEU 273 Cb -0.10 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.67 3hij s LEU 273 CO 0.27 -0.15 1.21 -2.65 0.23 0.00 0.00 176.35 175.26 3hij n PRO 274 N 0.71 0.53 -1.68 1.29 -0.02 -1.26 -4.88 135.00 129.69 3hij n PRO 274 Ca -0.17 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 3hij n PRO 274 Cb 0.56 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3hij n PRO 274 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hij n LEU 275 N -2.65 3.57 -4.75 2.45 4.32 -1.26 -5.02 117.00 113.67 3hij n LEU 275 Ca 0.14 1.11 -0.31 0.00 -0.02 0.00 0.00 56.01 56.93 3hij n LEU 275 Cb 0.49 -1.46 0.11 0.00 -1.62 0.00 0.00 43.42 40.95 3hij n LEU 275 CO 0.48 -0.85 0.69 0.42 -1.22 0.00 0.00 177.39 176.92 3hij s THR 276 N -1.20 3.04 0.25 -5.08 -4.23 -1.26 -4.76 115.64 102.40 3hij s THR 276 Ca 0.61 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 61.40 3hij s THR 276 Cb -0.53 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 70.87 3hij s THR 276 CO 0.58 -0.44 1.63 -0.08 -0.54 0.00 0.00 174.62 175.77 3hij h GLU 277 N -1.31 0.11 -0.39 3.99 4.57 -1.98 0.68 114.58 120.25 3hij h GLU 277 Ca -0.44 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 3hij h GLU 277 Cb 1.24 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 3hij h GLU 277 CO 0.49 0.07 0.17 0.93 -1.18 0.00 0.00 179.01 179.50 3hij h GLU 278 N 0.11 0.58 -0.63 1.92 3.07 -2.00 -0.28 114.58 117.35 3hij h GLU 278 Ca 0.44 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3hij h GLU 278 Cb 0.80 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 3hij h GLU 278 CO -0.68 0.53 0.37 0.93 -1.40 0.00 0.00 179.01 178.76 3hij h GLU 279 N 0.49 0.86 -0.74 2.33 5.08 -1.39 -2.57 114.58 118.64 3hij h GLU 279 Ca 0.13 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hij h GLU 279 Cb 0.16 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3hij h GLU 279 CO -0.01 0.62 0.45 -0.09 -1.00 0.00 0.00 179.01 178.98 3hij h ARG 280 N 0.85 0.84 -0.32 2.33 2.43 0.93 -1.47 114.38 119.97 3hij h ARG 280 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hij h ARG 280 Cb -0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3hij h ARG 280 CO -0.04 0.55 0.08 0.28 -1.51 0.00 0.00 179.97 179.33 3hij h VAL 281 N 0.86 1.22 -0.75 0.20 2.07 -0.89 0.30 116.25 119.26 3hij h VAL 281 Ca 0.31 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hij h VAL 281 Cb 0.09 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3hij h VAL 281 CO -0.14 0.24 0.46 0.74 0.02 0.00 0.00 177.57 178.90 3hij h THR 282 N 0.35 1.21 -0.31 2.57 2.02 -1.15 -1.75 112.91 115.84 3hij h THR 282 Ca 0.10 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3hij h THR 282 Cb 0.29 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3hij h THR 282 CO 0.00 0.21 -0.04 0.25 0.37 0.00 0.00 175.52 176.31 3hij h LEU 283 N 1.02 0.57 -1.40 2.58 5.85 -1.05 -2.67 115.31 120.21 3hij h LEU 283 Ca 0.27 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hij h LEU 283 Cb -0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3hij h LEU 283 CO -0.05 0.77 0.47 -0.61 -0.34 0.00 0.00 178.44 178.68 3hij h GLN 284 N 0.35 0.70 -0.45 1.25 5.75 -0.12 -0.59 115.11 121.99 3hij h GLN 284 Ca 0.08 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 3hij h GLN 284 Cb 0.51 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3hij h GLN 284 CO 0.02 0.46 -0.03 0.77 -2.65 0.00 0.00 178.83 177.40 3hij h SER 285 N 0.72 0.82 -0.50 -0.69 0.02 -1.16 0.12 113.55 112.88 3hij h SER 285 Ca 0.31 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3hij h SER 285 Cb 0.30 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3hij h SER 285 CO -0.10 0.94 0.26 0.58 -1.14 0.00 0.00 176.83 177.37 3hij h VAL 286 N 0.67 1.18 -0.74 2.27 2.07 -1.06 -2.53 116.25 118.11 3hij h VAL 286 Ca 0.12 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3hij h VAL 286 Cb 0.54 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hij h VAL 286 CO 0.03 0.19 0.34 0.24 0.02 0.00 0.00 177.57 178.39 3hij h MET 287 N 0.66 1.07 0.00 1.57 2.07 -0.58 -1.42 114.93 118.29 3hij h MET 287 Ca 0.17 -0.16 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3hij h MET 287 Cb 0.08 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 3hij h MET 287 CO -0.03 0.84 -0.01 1.96 1.07 0.00 0.00 176.91 180.74 3hij h GLN 288 N 1.06 0.00 0.00 1.72 4.20 -0.79 -2.30 115.11 119.00 3hij h GLN 288 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3hij h GLN 288 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3hij h GLN 288 CO -0.03 0.01 -0.11 -1.13 -0.67 0.00 0.00 178.83 176.91 3hij n SER 289 N -3.13 0.48 -4.65 1.46 3.41 -0.54 -4.78 113.62 105.87 3hij n SER 289 Ca -0.01 0.43 -0.43 0.00 -0.26 0.00 0.00 58.87 58.61 3hij n SER 289 Cb 0.24 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3hij n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hij s ILE 290 N -3.06 3.76 0.01 -1.33 1.01 -0.87 -4.92 121.20 115.80 3hij s ILE 290 Ca 0.11 0.90 -0.35 0.00 0.00 0.00 0.00 60.65 61.32 3hij s ILE 290 Cb 0.15 -3.65 -0.14 0.00 0.01 0.00 0.00 42.46 38.83 3hij s ILE 290 CO 0.59 -0.16 1.69 -2.65 0.00 0.00 0.00 174.94 174.41 3hij n PRO 291 N 7.22 1.94 0.00 2.79 -0.02 -1.26 -5.09 135.00 140.57 3hij n PRO 291 Ca 0.17 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.42 3hij n PRO 291 Cb 0.44 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.49 3hij n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02