#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xky s ILE 2 N 0.00 2.64 -0.30 1.12 2.07 -1.26 -5.00 121.20 120.46 1xky s ILE 2 Ca 0.00 0.56 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1xky s ILE 2 Cb 0.00 -3.36 0.07 0.00 0.13 0.00 0.00 42.46 39.30 1xky s ILE 2 CO 0.00 0.10 -0.02 -0.62 -1.91 0.00 0.00 174.94 172.49 1xky s ASP 3 N 0.15 4.71 0.00 4.50 2.15 -1.26 -4.97 116.67 121.95 1xky s ASP 3 Ca 0.57 -1.56 0.30 0.00 0.43 0.00 0.00 52.55 52.28 1xky s ASP 3 Cb -0.42 -1.64 1.37 0.00 -0.30 0.00 0.00 42.92 41.94 1xky s ASP 3 CO 0.47 -0.28 1.96 0.49 -0.17 0.00 0.00 175.17 177.64 1xky n PHE 4 N 4.46 0.00 -4.30 -5.34 3.72 -1.26 -4.80 117.46 109.94 1xky n PHE 4 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1xky n PHE 4 Cb 0.42 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1xky n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xky n GLY 5 N 1.30 -0.74 0.06 1.37 0.00 -1.26 -3.81 105.19 102.10 1xky n GLY 5 Ca 0.14 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 45.02 1xky n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xky n THR 6 N 0.00 0.72 -3.69 2.61 -2.24 -1.26 -4.67 114.28 105.75 1xky n THR 6 Ca 0.00 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 1xky n THR 6 Cb 0.00 -0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 67.79 1xky n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xky s ILE 7 N -3.07 1.50 0.34 2.28 1.01 -1.26 -1.32 121.20 120.68 1xky s ILE 7 Ca -0.07 -2.88 -0.26 0.00 0.00 0.00 0.00 60.65 57.43 1xky s ILE 7 Cb 0.10 -2.03 -0.09 0.00 0.01 0.00 0.00 42.46 40.45 1xky s ILE 7 CO 0.86 -0.97 1.01 0.00 0.00 0.00 0.00 174.94 175.84 1xky s ALA 8 N -0.03 3.21 -0.13 9.38 0.00 -0.67 -0.13 121.76 133.39 1xky s ALA 8 Ca 0.22 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1xky s ALA 8 Cb -0.16 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1xky s ALA 8 CO -0.06 -0.04 -0.18 0.99 0.00 0.00 0.00 175.76 176.47 1xky s THR 9 N -1.52 2.49 -1.11 0.00 2.01 0.06 -0.26 115.64 117.31 1xky s THR 9 Ca 0.51 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 1xky s THR 9 Cb -0.23 -2.02 0.06 0.00 0.01 0.00 0.00 72.50 70.32 1xky s THR 9 CO 0.29 0.53 1.54 0.00 -0.69 0.00 0.00 174.62 176.29 1xky s ALA 10 N 0.61 2.94 0.17 7.40 0.00 -0.33 -0.56 121.76 132.00 1xky s ALA 10 Ca -0.10 -2.50 -0.30 0.00 0.00 0.00 0.00 51.96 49.06 1xky s ALA 10 Cb -0.16 -4.55 -0.08 0.00 0.00 0.00 0.00 23.12 18.33 1xky s ALA 10 CO 0.03 -3.49 1.21 1.41 0.00 0.00 0.00 175.76 174.92 1xky s MET 11 N 4.64 4.47 0.77 0.00 1.75 -0.83 -4.66 119.30 125.43 1xky s MET 11 Ca 0.48 1.88 -0.13 0.00 -1.25 0.00 0.00 55.69 56.67 1xky s MET 11 Cb 0.01 -3.25 0.06 0.00 2.84 0.00 0.00 34.83 34.49 1xky s MET 11 CO -0.04 -0.13 1.15 0.14 -0.65 0.00 0.00 175.02 175.49 1xky s VAL 12 N 0.14 2.62 -0.43 10.11 -7.23 -1.26 -3.14 120.40 121.20 1xky s VAL 12 Ca 0.54 0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.85 1xky s VAL 12 Cb -0.33 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.01 1xky s VAL 12 CO 0.36 -0.21 0.30 -0.89 -0.31 0.00 0.00 175.10 174.34 1xky s THR 13 N -2.38 4.61 0.29 5.32 2.01 -1.26 -4.87 115.64 119.35 1xky s THR 13 Ca 0.69 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 1xky s THR 13 Cb -0.24 -3.76 -0.12 0.00 0.01 0.00 0.00 72.50 68.39 1xky s THR 13 CO 0.49 -0.50 1.62 -2.65 -0.69 0.00 0.00 174.62 172.90 1xky n PRO 14 N 5.02 2.75 -4.44 4.92 -0.02 -1.26 -4.96 135.00 137.01 1xky n PRO 14 Ca -0.11 0.98 -0.30 0.00 -2.02 0.00 0.00 63.50 62.05 1xky n PRO 14 Cb 0.44 -2.78 -0.12 0.00 -0.02 0.00 0.00 33.50 31.02 1xky n PRO 14 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1xky s PHE 15 N 0.14 2.49 0.52 6.00 2.99 -0.68 -1.19 117.98 128.25 1xky s PHE 15 Ca 0.65 -0.29 -0.08 0.00 0.00 0.00 0.00 56.93 57.22 1xky s PHE 15 Cb -0.49 -1.36 0.12 0.00 0.00 0.00 0.00 43.02 41.29 1xky s PHE 15 CO 0.46 0.33 0.70 -0.40 -0.00 0.00 0.00 175.22 176.32 1xky n ASP 16 N 1.06 0.18 0.27 1.36 5.68 0.14 -3.65 116.55 121.59 1xky n ASP 16 Ca -0.16 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.93 1xky n ASP 16 Cb 0.53 -0.53 0.75 0.00 -1.14 0.00 0.00 41.12 40.73 1xky n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xky h ILE 17 N -1.26 0.50 -0.28 2.12 6.09 -2.01 -0.21 117.51 122.46 1xky h ILE 17 Ca -0.23 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 1xky h ILE 17 Cb 0.66 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.29 1xky h ILE 17 CO 0.17 0.10 0.00 0.59 -3.07 0.00 0.00 178.15 175.95 1xky n ASN 18 N -3.57 1.87 0.00 2.19 5.03 -1.26 -4.92 115.26 114.60 1xky n ASN 18 Ca -0.02 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.57 1xky n ASN 18 Cb 0.23 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1xky n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xky n GLY 19 N 1.12 0.63 3.88 7.41 0.00 -0.09 -5.03 105.19 113.11 1xky n GLY 19 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1xky n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xky s ASN 20 N -2.41 6.39 0.12 1.61 0.02 -1.26 -4.71 114.94 114.71 1xky s ASN 20 Ca 0.00 1.24 -0.33 0.00 -1.02 0.00 0.00 52.86 52.75 1xky s ASN 20 Cb 0.00 -2.38 -0.13 0.00 0.02 0.00 0.00 41.25 38.76 1xky s ASN 20 CO 0.00 -0.62 1.68 -0.38 0.02 0.00 0.00 177.10 177.81 1xky n ILE 21 N -2.02 0.14 -3.32 0.60 5.41 -1.26 0.28 119.36 119.19 1xky n ILE 21 Ca 0.04 -0.03 -0.45 0.00 1.00 0.00 0.00 62.75 63.31 1xky n ILE 21 Cb 0.54 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.67 1xky n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xky s ASP 22 N 1.70 6.18 0.20 4.38 -1.08 -0.33 -4.68 116.67 123.03 1xky s ASP 22 Ca 0.81 -1.59 -0.03 0.00 -0.52 0.00 0.00 52.55 51.21 1xky s ASP 22 Cb -0.63 -2.21 0.13 0.00 -1.46 0.00 0.00 42.92 38.75 1xky s ASP 22 CO 0.39 -0.80 1.53 -0.26 0.52 0.00 0.00 175.17 176.55 1xky h PHE 23 N 8.86 0.73 -0.62 -5.34 -1.00 -1.92 -1.45 116.94 116.20 1xky h PHE 23 Ca -0.29 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.20 1xky h PHE 23 Cb 1.10 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 1xky h PHE 23 CO 0.70 0.97 0.22 0.00 -1.61 0.00 0.00 178.31 178.59 1xky h ALA 24 N 0.99 0.81 -0.39 2.45 0.00 -1.99 -0.45 119.26 120.68 1xky h ALA 24 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xky h ALA 24 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1xky h ALA 24 CO 0.10 0.45 -0.08 0.87 0.00 0.00 0.00 179.25 180.59 1xky h LYS 25 N 0.88 0.66 -0.46 0.00 1.57 -1.90 -2.06 116.57 115.25 1xky h LYS 25 Ca 0.20 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xky h LYS 25 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xky h LYS 25 CO -0.01 0.73 0.27 1.15 -0.57 0.00 0.00 179.45 181.02 1xky h THR 26 N 0.61 1.15 -0.26 -0.16 2.02 -0.79 0.24 112.91 115.72 1xky h THR 26 Ca 0.11 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1xky h THR 26 Cb 0.50 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1xky h THR 26 CO 0.03 0.16 0.07 0.74 0.37 0.00 0.00 175.52 176.89 1xky h THR 27 N 0.61 0.90 -0.56 3.16 2.02 -0.86 0.37 112.91 118.56 1xky h THR 27 Ca 0.16 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1xky h THR 27 Cb 0.02 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1xky h THR 27 CO -0.03 0.03 0.32 0.50 0.37 0.00 0.00 175.52 176.71 1xky h LYS 28 N 0.18 0.61 -0.32 6.66 3.64 -1.10 -2.25 116.57 123.98 1xky h LYS 28 Ca 0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1xky h LYS 28 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1xky h LYS 28 CO -0.14 0.40 0.03 1.25 -2.27 0.00 0.00 179.45 178.71 1xky h LEU 29 N 0.63 0.53 -0.38 5.20 5.85 -0.41 -1.29 115.31 125.43 1xky h LEU 29 Ca 0.23 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xky h LEU 29 Cb 0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1xky h LEU 29 CO -0.12 0.68 0.21 0.58 -0.34 0.00 0.00 178.44 179.45 1xky h VAL 30 N 0.36 1.02 -0.61 1.05 2.07 -0.79 -0.89 116.25 118.46 1xky h VAL 30 Ca 0.09 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1xky h VAL 30 Cb 0.40 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1xky h VAL 30 CO 0.01 0.08 0.14 0.78 0.02 0.00 0.00 177.57 178.60 1xky h ASN 31 N 0.43 0.93 -0.16 0.57 2.35 -1.31 -2.17 115.58 116.22 1xky h ASN 31 Ca 0.16 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xky h ASN 31 Cb 0.03 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 1xky h ASN 31 CO -0.09 0.93 -0.08 0.22 -1.65 0.00 0.00 177.43 176.76 1xky h TYR 32 N 0.90 -0.18 -0.32 1.19 3.20 -0.99 -2.26 116.97 118.51 1xky h TYR 32 Ca 0.19 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1xky h TYR 32 Cb 0.36 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1xky h TYR 32 CO 0.03 -0.12 0.20 -0.07 -1.64 0.00 0.00 178.16 176.56 1xky h LEU 33 N -0.06 0.34 -1.53 2.82 3.38 -0.93 -1.65 115.31 117.68 1xky h LEU 33 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xky h LEU 33 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xky h LEU 33 CO -0.20 0.25 0.26 0.40 0.09 0.00 0.00 178.44 179.24 1xky h ILE 34 N 0.41 1.12 -0.00 1.22 2.04 -1.29 -0.50 117.51 120.51 1xky h ILE 34 Ca 0.12 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1xky h ILE 34 Cb -0.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1xky h ILE 34 CO -0.04 0.13 -0.07 0.47 0.00 0.00 0.00 178.15 178.64 1xky n ASP 35 N -4.45 0.42 -2.19 1.72 8.00 -0.86 -4.03 116.55 115.16 1xky n ASP 35 Ca 0.03 -0.67 -0.20 0.00 0.71 0.00 0.00 54.79 54.66 1xky n ASP 35 Cb 0.07 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1xky n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xky n ASN 36 N -0.91 4.36 0.00 -2.24 3.02 -0.25 -4.98 115.26 114.27 1xky n ASN 36 Ca 0.16 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 1xky n ASN 36 Cb 0.25 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1xky n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xky n GLY 37 N -0.67 1.00 3.70 7.41 0.00 -1.18 -3.50 105.19 111.95 1xky n GLY 37 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1xky n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xky s THR 38 N -2.97 4.02 -1.01 2.61 2.01 -0.88 -4.62 115.64 114.80 1xky s THR 38 Ca 0.00 1.42 0.14 0.00 0.31 0.00 0.00 61.69 63.56 1xky s THR 38 Cb 0.00 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1xky s THR 38 CO 0.00 0.05 0.69 0.35 -0.69 0.00 0.00 174.62 175.03 1xky n THR 39 N 4.28 0.00 -3.57 -0.82 -2.24 0.81 -4.56 114.28 108.18 1xky n THR 39 Ca 0.10 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1xky n THR 39 Cb 0.46 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1xky n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xky s ALA 40 N -2.01 -1.84 -0.17 6.98 0.00 -1.23 -4.19 121.76 119.30 1xky s ALA 40 Ca 0.09 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.66 1xky s ALA 40 Cb 0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1xky s ALA 40 CO 0.46 -0.33 -0.13 0.42 0.00 0.00 0.00 175.76 176.18 1xky s ILE 41 N -0.64 2.75 -0.28 0.00 1.01 -0.30 -0.76 121.20 122.99 1xky s ILE 41 Ca -0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1xky s ILE 41 Cb -0.02 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1xky s ILE 41 CO 0.04 0.50 0.59 -0.69 0.00 0.00 0.00 174.94 175.37 1xky s VAL 42 N 1.01 5.00 -0.15 2.92 1.01 0.28 -0.06 120.40 130.41 1xky s VAL 42 Ca -0.01 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1xky s VAL 42 Cb -0.15 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1xky s VAL 42 CO -0.03 -0.02 0.01 -0.69 0.00 0.00 0.00 175.10 174.38 1xky s VAL 43 N 2.47 4.36 -1.07 2.92 1.01 0.21 -1.97 120.40 128.32 1xky s VAL 43 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1xky s VAL 43 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1xky s VAL 43 CO 0.10 0.50 0.22 0.61 0.00 0.00 0.00 175.10 176.53 1xky n GLY 44 N 3.28 -0.14 0.00 4.51 0.00 -1.26 -1.07 105.19 110.51 1xky n GLY 44 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1xky n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xky n GLY 45 N -1.15 -0.25 0.18 -0.02 0.00 -1.26 -4.28 105.19 98.42 1xky n GLY 45 Ca -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1xky n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xky h THR 46 N -0.37 0.83 0.00 2.61 2.02 -1.95 -0.37 112.91 115.67 1xky h THR 46 Ca 0.00 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1xky h THR 46 Cb 0.00 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1xky h THR 46 CO 0.00 0.05 -0.15 0.74 0.37 0.00 0.00 175.52 176.53 1xky h THR 47 N 0.30 0.67 -0.27 3.16 2.02 -1.87 -1.05 112.91 115.87 1xky h THR 47 Ca 0.21 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1xky h THR 47 Cb 0.23 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1xky h THR 47 CO -0.23 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.42 1xky n GLY 48 N -0.62 0.67 3.28 2.16 0.00 -0.22 -4.23 105.19 106.23 1xky n GLY 48 Ca -0.02 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1xky n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xky n GLU 49 N 0.30 -6.64 -0.35 1.61 1.02 -0.40 -4.28 120.64 111.91 1xky n GLU 49 Ca 0.10 0.74 0.23 0.00 -0.02 0.00 0.00 57.16 58.21 1xky n GLU 49 Cb 0.31 -5.48 0.47 0.00 -0.02 0.00 0.00 31.44 26.73 1xky n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xky h SER 50 N -2.22 0.52 0.01 1.62 4.64 -1.54 -1.75 113.55 114.84 1xky h SER 50 Ca -0.50 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xky h SER 50 Cb 1.33 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1xky h SER 50 CO 0.49 -0.01 -0.01 -0.65 -0.87 0.00 0.00 176.83 175.78 1xky h PRO 51 N 0.40 0.00 -0.08 4.77 0.11 -1.90 -2.85 132.00 132.45 1xky h PRO 51 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1xky h PRO 51 Cb 1.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.70 1xky h PRO 51 CO -0.47 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.58 1xky n THR 52 N -4.30 0.11 -3.26 -1.15 -2.24 -0.67 -4.94 114.28 97.83 1xky n THR 52 Ca -0.03 -0.55 -0.39 0.00 -2.27 0.00 0.00 64.05 60.81 1xky n THR 52 Cb 0.10 1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 1xky n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xky s LEU 53 N -1.44 4.53 0.74 3.22 1.43 -1.08 -5.08 118.68 120.99 1xky s LEU 53 Ca 0.23 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1xky s LEU 53 Cb 0.15 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.50 1xky s LEU 53 CO 0.23 0.27 1.08 0.42 0.23 0.00 0.00 176.35 178.58 1xky s THR 54 N -1.08 3.56 0.33 5.49 -4.23 -1.26 -4.85 115.64 113.60 1xky s THR 54 Ca 0.29 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1xky s THR 54 Cb -0.20 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.60 1xky s THR 54 CO 0.19 -0.66 1.95 -1.28 -0.54 0.00 0.00 174.62 174.29 1xky h SER 55 N -0.83 0.78 -0.42 3.99 0.87 -1.98 -0.57 113.55 115.39 1xky h SER 55 Ca -0.45 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 1xky h SER 55 Cb 1.24 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1xky h SER 55 CO 0.60 0.52 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.96 1xky h GLU 56 N 0.90 0.83 -0.50 2.24 3.07 -2.00 -2.06 114.58 117.07 1xky h GLU 56 Ca 0.32 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1xky h GLU 56 Cb 0.14 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1xky h GLU 56 CO -0.10 0.97 0.31 0.93 -1.40 0.00 0.00 179.01 179.71 1xky h GLU 57 N 0.65 0.67 -0.03 2.33 5.08 -1.78 -1.98 114.58 119.52 1xky h GLU 57 Ca 0.10 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1xky h GLU 57 Cb 0.68 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1xky h GLU 57 CO 0.05 0.48 -0.13 0.87 -1.00 0.00 0.00 179.01 179.28 1xky h LYS 58 N 0.66 -0.20 -0.62 2.33 1.57 -0.95 0.25 116.57 119.62 1xky h LYS 58 Ca 0.18 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1xky h LYS 58 Cb -0.02 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xky h LYS 58 CO -0.03 -0.13 0.21 0.28 -0.57 0.00 0.00 179.45 179.20 1xky h VAL 59 N -0.20 1.24 -0.70 0.50 2.07 -1.30 0.14 116.25 117.99 1xky h VAL 59 Ca 0.06 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1xky h VAL 59 Cb 0.28 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1xky h VAL 59 CO -0.15 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.21 1xky h ALA 60 N 1.07 0.89 -0.35 1.67 0.00 -1.20 -1.16 119.26 120.19 1xky h ALA 60 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xky h ALA 60 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xky h ALA 60 CO -0.01 0.33 0.14 1.25 0.00 0.00 0.00 179.25 180.97 1xky h LEU 61 N 0.96 0.49 -0.26 0.00 5.85 -0.33 -1.08 115.31 120.93 1xky h LEU 61 Ca 0.26 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1xky h LEU 61 Cb -0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1xky h LEU 61 CO -0.05 0.52 0.09 1.88 -0.34 0.00 0.00 178.44 180.54 1xky h TYR 62 N 0.42 0.17 -0.55 1.25 0.05 -0.58 -1.66 116.97 116.08 1xky h TYR 62 Ca 0.12 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1xky h TYR 62 Cb 0.18 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1xky h TYR 62 CO -0.00 0.08 0.34 -0.09 -1.05 0.00 0.00 178.16 177.44 1xky h ARG 63 N 0.21 0.74 -0.42 4.88 2.43 -1.04 0.07 114.38 121.26 1xky h ARG 63 Ca 0.11 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1xky h ARG 63 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1xky h ARG 63 CO -0.11 0.53 0.09 1.25 -1.51 0.00 0.00 179.97 180.21 1xky h HIS 64 N 0.74 0.72 -0.63 2.20 2.76 -1.06 -1.85 115.15 118.03 1xky h HIS 64 Ca 0.20 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1xky h HIS 64 Cb -0.03 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1xky h HIS 64 CO -0.03 0.69 0.07 0.28 -1.30 0.00 0.00 177.93 177.64 1xky h VAL 65 N 0.54 1.26 -0.61 5.26 2.07 -1.03 -0.33 116.25 123.41 1xky h VAL 65 Ca 0.13 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1xky h VAL 65 Cb 0.34 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1xky h VAL 65 CO 0.00 0.39 0.33 0.58 0.02 0.00 0.00 177.57 178.90 1xky h VAL 66 N 0.98 0.95 0.10 2.57 2.07 -0.88 0.25 116.25 122.29 1xky h VAL 66 Ca 0.19 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xky h VAL 66 Cb 0.48 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xky h VAL 66 CO 0.02 0.11 -0.05 -1.28 0.02 0.00 0.00 177.57 176.39 1xky h SER 67 N 0.61 -0.11 -0.30 0.57 0.87 -0.75 -2.36 113.55 112.08 1xky h SER 67 Ca 0.28 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1xky h SER 67 Cb 0.18 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1xky h SER 67 CO -0.18 -0.03 -0.03 0.58 -0.53 0.00 0.00 176.83 176.64 1xky h VAL 68 N -0.18 1.27 -0.84 2.23 2.07 -0.92 -3.11 116.25 116.77 1xky h VAL 68 Ca -0.01 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1xky h VAL 68 Cb 0.15 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1xky h VAL 68 CO 0.02 0.32 0.55 0.58 0.02 0.00 0.00 177.57 179.07 1xky h VAL 69 N 0.33 1.21 -6.16 2.57 2.07 -0.95 -3.46 116.25 111.85 1xky h VAL 69 Ca 0.08 -0.39 -0.44 0.00 0.82 0.00 0.00 66.70 66.77 1xky h VAL 69 Cb 0.48 -0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1xky h VAL 69 CO 0.02 0.21 -0.79 -0.67 0.02 0.00 0.00 177.57 176.36 1xky n ASP 70 N -4.41 -3.16 -0.47 0.57 4.64 -0.89 -1.78 116.55 111.05 1xky n ASP 70 Ca 0.10 -0.78 -0.06 0.00 -1.38 0.00 0.00 54.79 52.66 1xky n ASP 70 Cb 0.03 -4.06 -0.03 0.00 -1.04 0.00 0.00 41.12 36.02 1xky n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xky n LYS 71 N -4.51 -1.48 0.03 -0.67 4.76 -1.26 -4.88 118.16 110.16 1xky n LYS 71 Ca -0.13 0.66 -0.09 0.00 -2.87 0.00 0.00 58.31 55.88 1xky n LYS 71 Cb 0.60 -4.89 0.05 0.00 -1.84 0.00 0.00 35.03 28.95 1xky n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xky h ARG 72 N 0.12 0.47 -4.06 1.97 3.08 -1.73 -3.45 114.38 110.78 1xky h ARG 72 Ca -0.13 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.45 1xky h ARG 72 Cb 0.93 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 30.86 1xky h ARG 72 CO 0.19 0.95 -0.65 0.14 -1.07 0.00 0.00 179.97 179.53 1xky s VAL 73 N -3.82 0.17 0.40 2.04 -7.23 -1.26 -5.06 120.40 105.64 1xky s VAL 73 Ca -0.06 -1.37 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 1xky s VAL 73 Cb 0.11 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.95 1xky s VAL 73 CO 0.84 -0.76 1.42 -2.84 -0.31 0.00 0.00 175.10 173.45 1xky s PRO 74 N -2.90 3.98 -0.27 4.82 0.02 -1.26 -4.84 135.00 134.55 1xky s PRO 74 Ca -0.03 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 1xky s PRO 74 Cb 0.01 -2.85 -0.01 0.00 0.02 0.00 0.00 34.50 31.66 1xky s PRO 74 CO -0.06 -0.58 0.08 0.08 -0.33 0.00 0.00 177.00 176.19 1xky s VAL 75 N -1.17 4.24 -0.23 3.83 1.01 -1.26 -1.15 120.40 125.67 1xky s VAL 75 Ca 0.56 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1xky s VAL 75 Cb -0.44 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1xky s VAL 75 CO 0.58 0.23 0.00 -0.63 0.00 0.00 0.00 175.10 175.28 1xky s ILE 76 N 1.58 3.75 -0.09 2.22 1.01 0.92 -0.71 121.20 129.88 1xky s ILE 76 Ca 0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 1xky s ILE 76 Cb -0.16 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1xky s ILE 76 CO 0.03 0.39 0.33 0.00 0.00 0.00 0.00 174.94 175.69 1xky s ALA 77 N 1.53 3.66 -1.28 9.38 0.00 -0.51 0.63 121.76 135.18 1xky s ALA 77 Ca 0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 1xky s ALA 77 Cb -0.15 -2.36 0.11 0.00 0.00 0.00 0.00 23.12 20.73 1xky s ALA 77 CO -0.00 0.29 1.66 0.41 0.00 0.00 0.00 175.76 178.12 1xky n GLY 78 N 2.62 3.04 0.04 0.00 0.00 -0.23 -0.28 105.19 110.38 1xky n GLY 78 Ca -0.13 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.31 1xky n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xky n THR 79 N 5.58 0.19 -2.62 2.61 -2.24 -0.98 -4.76 114.28 112.05 1xky n THR 79 Ca 0.44 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.50 1xky n THR 79 Cb 0.44 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1xky n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xky s GLY 80 N -3.82 2.79 0.00 3.38 0.00 -1.09 -4.58 107.32 104.00 1xky s GLY 80 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1xky s GLY 80 CO 0.82 1.74 0.00 -1.14 0.00 0.00 0.00 173.10 174.52 1xky n SER 81 N 3.63 1.84 -0.87 1.64 3.41 -1.26 -4.41 113.62 117.60 1xky n SER 81 Ca 0.06 -0.52 0.06 0.00 -0.26 0.00 0.00 58.87 58.22 1xky n SER 81 Cb 0.49 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.64 1xky n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xky n ASN 82 N -0.60 2.52 -4.02 4.04 2.04 -1.26 -4.51 115.26 113.47 1xky n ASN 82 Ca 0.00 -2.08 -0.31 0.00 -0.44 0.00 0.00 54.58 51.75 1xky n ASN 82 Cb 0.00 -0.34 -0.16 0.00 -2.53 0.00 0.00 39.78 36.76 1xky n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1xky s ASN 83 N -0.92 3.73 0.11 0.53 3.84 -1.26 -4.93 114.94 116.05 1xky s ASN 83 Ca 0.29 -1.05 -0.17 0.00 0.21 0.00 0.00 52.86 52.14 1xky s ASN 83 Cb 0.16 -1.34 -0.05 0.00 -0.55 0.00 0.00 41.25 39.48 1xky s ASN 83 CO 0.18 -0.16 1.61 0.74 -2.79 0.00 0.00 177.10 176.68 1xky h THR 84 N 6.50 1.22 -0.21 -5.21 2.02 -1.96 -0.77 112.91 114.49 1xky h THR 84 Ca -0.26 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.22 1xky h THR 84 Cb 1.08 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1xky h THR 84 CO 0.48 0.24 0.10 -0.74 0.37 0.00 0.00 175.52 175.97 1xky h HIS 85 N 0.35 0.19 -0.57 3.16 -0.00 -1.98 -1.04 115.15 115.26 1xky h HIS 85 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1xky h HIS 85 Cb 0.28 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1xky h HIS 85 CO 0.01 0.10 0.20 0.00 -0.00 0.00 0.00 177.93 178.24 1xky h ALA 86 N 1.11 1.28 -0.64 5.26 0.00 -1.97 -2.10 119.26 122.21 1xky h ALA 86 Ca 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1xky h ALA 86 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xky h ALA 86 CO -0.06 0.52 0.12 0.77 0.00 0.00 0.00 179.25 180.60 1xky h SER 87 N 0.82 1.00 -0.18 0.00 0.02 -0.58 -1.10 113.55 113.53 1xky h SER 87 Ca 0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1xky h SER 87 Cb 0.21 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1xky h SER 87 CO -0.01 0.99 0.12 0.40 -1.14 0.00 0.00 176.83 177.19 1xky h ILE 88 N 0.96 1.06 0.05 3.27 2.04 -0.96 -1.03 117.51 122.89 1xky h ILE 88 Ca 0.20 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1xky h ILE 88 Cb 0.41 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1xky h ILE 88 CO 0.01 0.05 -0.25 -0.78 0.00 0.00 0.00 178.15 177.18 1xky h ASP 89 N 0.23 -0.73 0.05 1.72 3.58 -1.02 -1.38 116.42 118.88 1xky h ASP 89 Ca 0.07 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1xky h ASP 89 Cb -0.01 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1xky h ASP 89 CO -0.01 -0.33 -0.19 0.25 -2.88 0.00 0.00 179.24 176.08 1xky h LEU 90 N -0.41 0.25 -0.59 2.28 5.85 -1.18 -1.95 115.31 119.56 1xky h LEU 90 Ca 0.05 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1xky h LEU 90 Cb 0.47 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1xky h LEU 90 CO -0.19 0.46 0.17 0.74 -0.34 0.00 0.00 178.44 179.28 1xky h THR 91 N 0.24 1.25 -0.14 1.05 2.02 -0.82 0.09 112.91 116.60 1xky h THR 91 Ca 0.04 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1xky h THR 91 Cb 0.48 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1xky h THR 91 CO 0.03 0.32 0.09 0.11 0.37 0.00 0.00 175.52 176.44 1xky h LYS 92 N 0.85 0.18 -0.48 6.66 1.79 -0.76 -0.63 116.57 124.16 1xky h LYS 92 Ca 0.19 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1xky h LYS 92 Cb 0.31 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1xky h LYS 92 CO -0.00 0.12 0.30 0.87 -1.08 0.00 0.00 179.45 179.66 1xky h LYS 93 N 0.18 0.65 -0.70 3.15 1.57 -1.09 -0.51 116.57 119.81 1xky h LYS 93 Ca 0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xky h LYS 93 Cb -0.01 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1xky h LYS 93 CO -0.02 0.46 0.46 0.00 -0.57 0.00 0.00 179.45 179.79 1xky h ALA 94 N 1.15 0.90 -0.82 3.86 0.00 -0.87 -2.63 119.26 120.85 1xky h ALA 94 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xky h ALA 94 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1xky h ALA 94 CO -0.03 0.31 0.54 1.15 0.00 0.00 0.00 179.25 181.21 1xky h THR 95 N 0.95 1.21 -0.01 0.00 2.02 -0.59 -2.59 112.91 113.90 1xky h THR 95 Ca 0.26 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1xky h THR 95 Cb -0.10 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 1xky h THR 95 CO -0.06 0.21 -0.14 -0.33 0.37 0.00 0.00 175.52 175.57 1xky h GLU 96 N 1.11 0.02 -0.50 6.66 5.08 -0.76 -2.51 114.58 123.69 1xky h GLU 96 Ca 0.30 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1xky h GLU 96 Cb -0.12 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xky h GLU 96 CO -0.06 0.15 0.00 1.33 -1.00 0.00 0.00 179.01 179.43 1xky n VAL 97 N -4.37 0.66 -0.58 3.13 0.24 -0.99 -4.97 118.33 111.45 1xky n VAL 97 Ca -0.02 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1xky n VAL 97 Cb 0.21 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1xky n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 98 N 1.35 0.77 3.69 7.63 0.00 -0.94 -4.71 105.19 112.98 1xky n GLY 98 Ca 0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1xky n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xky s VAL 99 N -2.00 2.61 -0.17 1.61 -7.23 -1.18 -4.97 120.40 109.06 1xky s VAL 99 Ca 0.00 0.20 0.22 0.00 -1.81 0.00 0.00 61.98 60.59 1xky s VAL 99 Cb 0.00 -2.51 -0.22 0.00 0.56 0.00 0.00 36.38 34.21 1xky s VAL 99 CO 0.00 -0.26 0.71 0.47 -0.31 0.00 0.00 175.10 175.71 1xky n ASP 100 N -4.01 0.34 -3.77 4.85 9.92 0.11 -4.88 116.55 119.10 1xky n ASP 100 Ca 0.08 0.05 -0.04 0.00 -0.53 0.00 0.00 54.79 54.35 1xky n ASP 100 Cb 0.54 1.40 -0.01 0.00 -0.64 0.00 0.00 41.12 42.40 1xky n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xky s ALA 101 N -3.43 -1.57 0.08 2.24 0.00 -1.05 -4.16 121.76 113.86 1xky s ALA 101 Ca -0.04 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1xky s ALA 101 Cb 0.13 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1xky s ALA 101 CO 0.86 -1.04 -0.17 0.14 0.00 0.00 0.00 175.76 175.55 1xky s VAL 102 N -3.40 1.39 -0.19 0.00 -7.23 -0.73 -1.43 120.40 108.81 1xky s VAL 102 Ca 0.12 -1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1xky s VAL 102 Cb -0.02 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1xky s VAL 102 CO 0.03 -0.10 0.07 -0.32 -0.31 0.00 0.00 175.10 174.47 1xky s MET 103 N -1.68 3.96 -0.26 4.82 0.00 0.61 -1.23 119.30 125.52 1xky s MET 103 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 55.69 55.40 1xky s MET 103 Cb -0.10 -3.25 0.06 0.00 0.00 0.00 0.00 34.83 31.55 1xky s MET 103 CO 0.03 0.23 -0.10 -0.51 0.00 0.00 0.00 175.02 174.66 1xky s LEU 104 N 0.51 3.43 0.39 4.11 1.43 -0.16 -2.32 118.68 126.06 1xky s LEU 104 Ca 0.04 -1.41 -0.24 0.00 -1.03 0.00 0.00 54.13 51.49 1xky s LEU 104 Cb -0.13 -1.53 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 1xky s LEU 104 CO 0.01 -0.20 0.98 0.54 0.23 0.00 0.00 176.35 177.90 1xky s VAL 105 N 1.11 4.14 -0.06 -1.59 0.11 -1.26 -1.11 120.40 121.74 1xky s VAL 105 Ca -0.08 1.56 -0.36 0.00 -2.93 0.00 0.00 61.98 60.17 1xky s VAL 105 Cb -0.20 -3.77 -0.14 0.00 -1.53 0.00 0.00 36.38 30.75 1xky s VAL 105 CO -0.05 -0.07 1.73 0.00 -3.33 0.00 0.00 175.10 173.39 1xky n ALA 106 N -0.07 0.55 -1.62 1.54 0.00 -0.56 -4.77 120.51 115.58 1xky n ALA 106 Ca 0.05 0.36 -0.53 0.00 0.00 0.00 0.00 53.44 53.32 1xky n ALA 106 Cb 0.51 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 1xky n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xky n PRO 107 N 5.28 1.18 -3.13 0.00 -0.02 -1.26 -4.82 135.00 132.23 1xky n PRO 107 Ca 0.22 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1xky n PRO 107 Cb 0.25 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1xky n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xky s TYR 108 N 1.28 3.39 0.00 6.00 1.13 -1.26 -4.46 117.35 123.43 1xky s TYR 108 Ca 0.88 0.35 0.00 0.00 -1.41 0.00 0.00 57.07 56.89 1xky s TYR 108 Cb -0.98 -2.12 0.00 0.00 -1.10 0.00 0.00 41.96 37.76 1xky s TYR 108 CO 0.51 -0.13 0.00 0.98 -2.51 0.00 0.00 175.55 174.40 1xky n TYR 109 N -1.97 0.00 1.50 -3.49 9.36 -1.26 -4.48 117.16 116.82 1xky n TYR 109 Ca -0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.35 1xky n TYR 109 Cb 0.57 0.00 0.58 0.00 -0.63 0.00 0.00 39.34 39.86 1xky n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1xky n ASN 110 N 2.35 0.91 -3.63 2.98 0.23 -1.26 -4.99 115.26 111.85 1xky n ASN 110 Ca 0.00 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.58 52.71 1xky n ASN 110 Cb 0.00 0.01 0.04 0.00 -2.08 0.00 0.00 39.78 37.75 1xky n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xky n LYS 111 N -0.46 -1.26 -1.24 -3.83 5.02 -1.26 -4.95 118.16 110.18 1xky n LYS 111 Ca 0.17 0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 56.73 1xky n LYS 111 Cb 0.30 -4.13 0.11 0.00 -0.02 0.00 0.00 35.03 31.29 1xky n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xky s PRO 112 N -5.62 1.79 0.92 1.97 0.04 -1.26 -5.05 135.00 127.79 1xky s PRO 112 Ca 0.40 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1xky s PRO 112 Cb -0.14 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1xky s PRO 112 CO 0.85 -1.92 1.26 -1.54 0.04 0.00 0.00 177.00 175.69 1xky s SER 113 N -3.41 3.52 0.15 6.66 1.04 -1.26 -4.84 113.70 115.56 1xky s SER 113 Ca 0.62 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 1xky s SER 113 Cb -0.17 -0.73 0.02 0.00 0.10 0.00 0.00 66.02 65.24 1xky s SER 113 CO 0.56 -2.50 1.79 1.56 0.98 0.00 0.00 173.24 175.64 1xky h GLN 114 N -1.48 0.56 -0.18 4.02 1.08 -1.97 -1.24 115.11 115.91 1xky h GLN 114 Ca -0.45 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 56.57 1xky h GLN 114 Cb 1.27 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1xky h GLN 114 CO 0.49 0.40 -0.45 1.49 -0.95 0.00 0.00 178.83 179.81 1xky h GLU 115 N 0.56 0.45 -0.23 1.46 4.57 -1.99 -0.10 114.58 119.30 1xky h GLU 115 Ca 0.15 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1xky h GLU 115 Cb -0.02 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1xky h GLU 115 CO -0.03 0.81 0.08 0.78 -1.18 0.00 0.00 179.01 179.47 1xky h GLY 116 N 1.14 0.29 1.12 1.92 0.00 -1.87 -1.02 103.07 104.64 1xky h GLY 116 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1xky h GLY 116 CO 0.08 0.04 0.07 -0.33 0.00 0.00 0.00 176.54 176.39 1xky h MET 117 N 0.19 1.07 -0.16 4.80 2.86 -1.02 0.31 114.93 122.99 1xky h MET 117 Ca 0.10 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1xky h MET 117 Cb 0.06 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1xky h MET 117 CO -0.10 1.00 -0.07 -0.92 1.06 0.00 0.00 176.91 177.88 1xky h TYR 118 N 0.99 -0.16 -0.32 -0.22 3.20 -0.75 -0.39 116.97 119.32 1xky h TYR 118 Ca 0.19 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1xky h TYR 118 Cb 0.47 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1xky h TYR 118 CO 0.03 -0.11 -0.10 1.96 -1.64 0.00 0.00 178.16 178.30 1xky h GLN 119 N -0.05 0.53 0.53 1.82 1.08 -0.89 -0.98 115.11 117.16 1xky h GLN 119 Ca 0.09 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1xky h GLN 119 Cb 0.18 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1xky h GLN 119 CO -0.19 0.63 -0.26 1.25 -0.95 0.00 0.00 178.83 179.31 1xky h HIS 120 N 0.49 -0.67 -0.50 2.96 -0.00 -0.51 -1.48 115.15 115.45 1xky h HIS 120 Ca 0.09 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.34 1xky h HIS 120 Cb 0.48 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 1xky h HIS 120 CO 0.02 -0.37 -0.11 0.74 -0.00 0.00 0.00 177.93 178.20 1xky h PHE 121 N -0.81 1.07 -0.39 5.26 0.04 -1.03 -2.40 116.94 118.69 1xky h PHE 121 Ca -0.07 -0.23 0.04 0.00 2.80 0.00 0.00 57.97 60.51 1xky h PHE 121 Cb 0.59 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1xky h PHE 121 CO -0.02 1.02 0.15 -0.22 -0.60 0.00 0.00 178.31 178.65 1xky h LYS 122 N 0.82 0.32 -0.71 1.51 3.64 -1.20 -0.63 116.57 120.31 1xky h LYS 122 Ca 0.13 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1xky h LYS 122 Cb 0.67 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1xky h LYS 122 CO 0.05 0.21 0.22 0.00 -2.27 0.00 0.00 179.45 177.66 1xky h ALA 123 N 1.23 0.93 -0.13 5.00 0.00 -1.09 -1.01 119.26 124.20 1xky h ALA 123 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xky h ALA 123 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xky h ALA 123 CO -0.16 0.61 -0.07 0.82 0.00 0.00 0.00 179.25 180.45 1xky h ILE 124 N 1.05 1.32 -0.76 0.00 2.04 -1.27 -3.00 117.51 116.89 1xky h ILE 124 Ca 0.23 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 65.00 1xky h ILE 124 Cb 0.30 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1xky h ILE 124 CO -0.01 0.33 0.46 0.00 0.00 0.00 0.00 178.15 178.93 1xky h ALA 125 N 0.65 1.02 -0.03 1.87 0.00 -1.02 -1.24 119.26 120.50 1xky h ALA 125 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xky h ALA 125 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xky h ALA 125 CO 0.02 0.21 0.03 0.93 0.00 0.00 0.00 179.25 180.44 1xky h GLU 126 N 0.87 0.00 -0.00 0.00 5.08 -1.17 -2.68 114.58 116.68 1xky h GLU 126 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xky h GLU 126 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xky h GLU 126 CO -0.15 0.00 -0.14 -1.13 -1.00 0.00 0.00 179.01 176.59 1xky n SER 127 N -3.85 0.21 -3.98 1.42 3.41 -0.47 -4.86 113.62 105.50 1xky n SER 127 Ca -0.02 0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1xky n SER 127 Cb 0.12 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 1xky n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xky s THR 128 N -2.86 0.37 -0.95 6.66 -1.32 -1.01 -4.85 115.64 111.67 1xky s THR 128 Ca 0.17 -0.55 0.26 0.00 -1.21 0.00 0.00 61.69 60.37 1xky s THR 128 Cb 0.19 -0.38 0.23 0.00 -1.51 0.00 0.00 72.50 71.03 1xky s THR 128 CO 0.56 -0.13 1.83 -0.81 -2.21 0.00 0.00 174.62 173.86 1xky n PRO 129 N 2.34 0.04 -2.43 7.08 -0.04 -1.26 -4.90 135.00 135.82 1xky n PRO 129 Ca -0.17 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 1xky n PRO 129 Cb 0.57 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1xky n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xky s LEU 130 N -3.25 3.81 0.57 1.53 1.43 -1.26 -4.99 118.68 116.52 1xky s LEU 130 Ca 0.12 2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 55.05 1xky s LEU 130 Cb 0.16 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1xky s LEU 130 CO 0.50 -0.95 1.28 -2.65 0.23 0.00 0.00 176.35 174.76 1xky n PRO 131 N -1.09 1.45 -5.03 1.29 -0.02 -1.26 -4.87 135.00 125.47 1xky n PRO 131 Ca 0.10 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 1xky n PRO 131 Cb 0.52 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 1xky n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xky s VAL 132 N -1.34 1.75 -0.19 -1.45 1.01 0.26 -1.77 120.40 118.67 1xky s VAL 132 Ca 0.75 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1xky s VAL 132 Cb -0.41 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1xky s VAL 132 CO 0.47 0.49 -0.05 -0.32 0.00 0.00 0.00 175.10 175.69 1xky s MET 133 N 0.23 3.48 0.53 2.72 1.75 -0.37 -1.15 119.30 126.48 1xky s MET 133 Ca -0.12 -0.60 -0.17 0.00 -1.25 0.00 0.00 55.69 53.56 1xky s MET 133 Cb -0.15 -2.94 -0.07 0.00 2.84 0.00 0.00 34.83 34.51 1xky s MET 133 CO 0.05 -0.01 1.00 -0.51 -0.65 0.00 0.00 175.02 174.91 1xky s LEU 134 N 0.99 3.62 -0.24 4.11 1.43 -0.28 -0.99 118.68 127.32 1xky s LEU 134 Ca 0.00 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1xky s LEU 134 Cb -0.15 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.63 1xky s LEU 134 CO 0.00 -0.73 0.03 -0.47 0.23 0.00 0.00 176.35 175.41 1xky s TYR 135 N -2.52 1.65 -0.27 0.29 5.04 -0.26 0.16 117.35 121.43 1xky s TYR 135 Ca 0.61 -1.38 -0.18 0.00 -2.44 0.00 0.00 57.07 53.67 1xky s TYR 135 Cb -0.12 -1.40 -0.02 0.00 0.35 0.00 0.00 41.96 40.77 1xky s TYR 135 CO 0.31 -0.73 0.54 1.21 -1.34 0.00 0.00 175.55 175.53 1xky s ASN 136 N 1.64 6.44 -0.43 4.32 2.47 -0.28 -1.49 114.94 127.61 1xky s ASN 136 Ca 0.01 0.48 0.07 0.00 0.42 0.00 0.00 52.86 53.84 1xky s ASN 136 Cb -0.18 -2.29 0.26 0.00 -1.45 0.00 0.00 41.25 37.59 1xky s ASN 136 CO -0.12 -0.33 0.71 0.55 -3.72 0.00 0.00 177.10 174.19 1xky n VAL 137 N 5.21 -0.35 0.28 -5.21 3.14 -1.26 -0.28 118.33 119.85 1xky n VAL 137 Ca -0.04 -2.92 0.12 0.00 -2.96 0.00 0.00 64.34 58.54 1xky n VAL 137 Cb 0.49 -0.30 0.79 0.00 -1.06 0.00 0.00 33.84 33.76 1xky n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1xky h PRO 138 N 3.88 0.00 0.00 1.45 0.13 -1.81 0.14 132.00 135.80 1xky h PRO 138 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1xky h PRO 138 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1xky h PRO 138 CO 0.39 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1xky n GLY 139 N -1.41 -0.84 0.00 1.56 0.00 -1.26 -0.59 105.19 102.64 1xky n GLY 139 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xky n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xky n ARG 140 N -1.70 3.36 0.00 1.61 1.74 -0.12 -4.84 116.66 116.71 1xky n ARG 140 Ca 0.01 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.17 1xky n ARG 140 Cb 0.10 -0.93 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 1xky n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xky n SER 141 N -1.80 1.15 0.00 0.55 7.64 0.30 -4.76 113.62 116.70 1xky n SER 141 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1xky n SER 141 Cb 0.43 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1xky n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xky n ILE 142 N -0.83 0.00 -1.69 0.44 5.41 0.24 -4.38 119.36 118.54 1xky n ILE 142 Ca 0.05 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.46 1xky n ILE 142 Cb 0.30 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.28 1xky n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1xky s VAL 143 N 0.00 2.87 0.03 1.39 -7.23 -1.26 -4.72 120.40 111.48 1xky s VAL 143 Ca 0.00 0.43 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1xky s VAL 143 Cb 0.00 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1xky s VAL 143 CO 0.00 -0.23 -0.05 0.00 -0.31 0.00 0.00 175.10 174.51 1xky s GLN 144 N -3.93 2.54 -0.56 4.82 1.03 -1.26 -3.86 119.66 118.44 1xky s GLN 144 Ca 0.71 -0.76 -0.28 0.00 0.04 0.00 0.00 55.36 55.07 1xky s GLN 144 Cb -0.24 -2.51 0.01 0.00 0.03 0.00 0.00 33.01 30.29 1xky s GLN 144 CO 0.41 0.58 1.51 0.42 -2.54 0.00 0.00 175.29 175.68 1xky s ILE 145 N -1.09 3.69 0.83 3.63 1.01 -1.26 -4.92 121.20 123.09 1xky s ILE 145 Ca 0.19 0.56 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 1xky s ILE 145 Cb -0.11 -4.32 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1xky s ILE 145 CO 0.10 -1.10 0.90 -1.54 0.00 0.00 0.00 174.94 173.30 1xky n SER 146 N 10.14 -0.14 -0.16 3.58 3.41 -1.26 -4.72 113.62 124.47 1xky n SER 146 Ca 0.14 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 59.25 1xky n SER 146 Cb 0.49 -1.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.13 1xky n SER 146 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xky h VAL 147 N -1.05 0.66 -0.59 -3.33 2.07 -1.95 -1.32 116.25 110.74 1xky h VAL 147 Ca -0.45 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1xky h VAL 147 Cb 1.30 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1xky h VAL 147 CO 0.42 0.03 0.31 0.44 0.02 0.00 0.00 177.57 178.80 1xky h ASP 148 N 0.19 0.45 -0.74 0.57 3.32 -1.99 -0.17 116.42 118.05 1xky h ASP 148 Ca 0.26 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1xky h ASP 148 Cb 0.38 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1xky h ASP 148 CO -0.38 0.30 0.23 0.74 -1.72 0.00 0.00 179.24 178.41 1xky h THR 149 N 0.59 1.26 -0.51 0.35 2.02 -1.76 -1.09 112.91 113.77 1xky h THR 149 Ca 0.26 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 1xky h THR 149 Cb 0.16 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1xky h THR 149 CO -0.17 0.36 0.08 0.58 0.37 0.00 0.00 175.52 176.74 1xky h VAL 150 N 1.11 1.25 -0.06 3.16 2.07 -0.69 -0.70 116.25 122.39 1xky h VAL 150 Ca 0.24 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1xky h VAL 150 Cb 0.32 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xky h VAL 150 CO -0.01 0.34 0.04 0.58 0.02 0.00 0.00 177.57 178.54 1xky h VAL 151 N 0.74 1.05 -0.47 2.57 2.07 -0.82 0.77 116.25 122.16 1xky h VAL 151 Ca 0.16 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1xky h VAL 151 Cb 0.41 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1xky h VAL 151 CO 0.01 0.04 0.19 0.03 0.02 0.00 0.00 177.57 177.86 1xky h ARG 152 N 0.04 0.37 -0.45 1.57 3.08 -1.04 -2.24 114.38 115.71 1xky h ARG 152 Ca 0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1xky h ARG 152 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1xky h ARG 152 CO -0.00 0.24 0.10 -0.07 -1.07 0.00 0.00 179.97 179.16 1xky h LEU 153 N 0.38 0.62 -2.49 3.04 3.38 -0.84 -2.42 115.31 116.98 1xky h LEU 153 Ca 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xky h LEU 153 Cb 0.19 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xky h LEU 153 CO -0.20 0.63 -0.02 0.77 0.09 0.00 0.00 178.44 179.71 1xky h SER 154 N 0.65 0.00 0.96 -0.43 4.64 -0.23 -0.50 113.55 118.65 1xky h SER 154 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xky h SER 154 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xky h SER 154 CO -0.00 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1xky n GLU 155 N -3.35 0.16 -2.76 4.77 1.02 -0.91 -4.70 120.64 114.87 1xky n GLU 155 Ca -0.02 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.98 1xky n GLU 155 Cb 0.13 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1xky n GLU 155 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xky s ILE 156 N -3.16 4.84 0.20 -3.67 1.01 -0.20 -4.95 121.20 115.26 1xky s ILE 156 Ca 0.08 1.98 -0.15 0.00 0.00 0.00 0.00 60.65 62.55 1xky s ILE 156 Cb 0.11 -4.28 0.19 0.00 0.01 0.00 0.00 42.46 38.49 1xky s ILE 156 CO 0.45 0.20 1.63 -0.08 0.00 0.00 0.00 174.94 177.14 1xky h GLU 157 N 6.61 -0.03 -0.28 2.79 4.81 -1.86 -2.06 114.58 124.55 1xky h GLU 157 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1xky h GLU 157 Cb 1.22 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xky h GLU 157 CO 0.75 -0.02 0.00 0.27 -0.73 0.00 0.00 179.01 179.28 1xky n ASN 158 N -5.41 2.23 -4.43 1.04 6.94 -1.26 -4.68 115.26 109.69 1xky n ASN 158 Ca 0.06 -1.85 -0.44 0.00 -0.02 0.00 0.00 54.58 52.33 1xky n ASN 158 Cb 0.31 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 1xky n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xky s ILE 159 N -1.63 4.80 -0.28 1.53 1.01 -0.78 0.90 121.20 126.74 1xky s ILE 159 Ca 0.33 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1xky s ILE 159 Cb 0.18 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 1xky s ILE 159 CO 0.26 -0.96 0.27 1.33 0.00 0.00 0.00 174.94 175.83 1xky n VAL 160 N 5.64 0.00 -3.66 2.92 0.24 -0.30 -4.59 118.33 118.58 1xky n VAL 160 Ca -0.07 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1xky n VAL 160 Cb 0.45 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 1xky n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xky s ALA 161 N -1.70 -1.49 -0.01 2.33 0.00 -1.20 -1.54 121.76 118.15 1xky s ALA 161 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1xky s ALA 161 Cb 0.05 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1xky s ALA 161 CO 0.27 -0.91 -0.01 -1.50 0.00 0.00 0.00 175.76 173.61 1xky s ILE 162 N -3.66 0.17 -0.42 0.00 2.07 -0.41 -1.13 121.20 117.82 1xky s ILE 162 Ca 0.07 -0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.09 1xky s ILE 162 Cb -0.03 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.37 1xky s ILE 162 CO -0.02 0.10 0.70 -0.75 -1.91 0.00 0.00 174.94 173.05 1xky s LYS 163 N 0.47 3.43 -0.59 3.50 2.20 0.12 -0.44 119.74 128.44 1xky s LYS 163 Ca -0.04 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.30 1xky s LYS 163 Cb -0.07 -3.91 0.15 0.00 -1.51 0.00 0.00 37.83 32.49 1xky s LYS 163 CO -0.01 -0.98 0.49 0.34 -0.36 0.00 0.00 175.35 174.84 1xky s ASP 164 N 1.99 6.03 -0.28 1.43 -1.08 0.43 -1.13 116.67 124.07 1xky s ASP 164 Ca 0.26 -2.16 0.07 0.00 -0.52 0.00 0.00 52.55 50.20 1xky s ASP 164 Cb -0.13 -2.09 0.59 0.00 -1.46 0.00 0.00 42.92 39.82 1xky s ASP 164 CO 0.19 -0.68 1.62 0.00 0.52 0.00 0.00 175.17 176.83 1xky n ALA 165 N 4.64 4.34 0.37 3.66 0.00 0.61 -1.35 120.51 132.78 1xky n ALA 165 Ca -0.03 -1.94 0.13 0.00 0.00 0.00 0.00 53.44 51.60 1xky n ALA 165 Cb 0.42 -1.24 0.54 0.00 0.00 0.00 0.00 19.45 19.16 1xky n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xky h GLY 166 N 2.84 0.00 -0.04 0.00 0.00 -1.91 -3.42 103.07 100.55 1xky h GLY 166 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1xky h GLY 166 CO 0.65 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.79 1xky n GLY 167 N 0.03 0.48 2.87 4.60 0.00 -1.26 -4.97 105.19 106.93 1xky n GLY 167 Ca 0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1xky n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xky s ASP 168 N -2.40 4.01 0.13 1.61 -1.08 -1.26 -4.98 116.67 112.70 1xky s ASP 168 Ca 0.00 -1.50 0.23 0.00 -0.52 0.00 0.00 52.55 50.76 1xky s ASP 168 Cb 0.00 -1.11 0.90 0.00 -1.46 0.00 0.00 42.92 41.24 1xky s ASP 168 CO 0.00 -0.33 1.70 1.33 0.52 0.00 0.00 175.17 178.39 1xky n VAL 169 N 4.68 0.66 0.07 1.11 0.24 -1.26 -2.47 118.33 121.36 1xky n VAL 169 Ca -0.05 0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 1xky n VAL 169 Cb 0.43 -0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 1xky n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xky h LEU 170 N 0.00 0.28 -0.42 1.34 3.38 -1.99 -0.54 115.31 117.35 1xky h LEU 170 Ca 0.00 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1xky h LEU 170 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xky h LEU 170 CO 0.00 1.27 -0.27 0.71 0.09 0.00 0.00 178.44 180.24 1xky h THR 171 N 0.05 1.27 -0.47 0.22 1.35 -1.97 -2.80 112.91 110.56 1xky h THR 171 Ca -0.15 -1.44 0.08 0.00 -0.55 0.00 0.00 66.41 64.35 1xky h THR 171 Cb 1.94 1.27 -0.07 0.00 -1.73 0.00 0.00 68.15 69.56 1xky h THR 171 CO 0.16 0.49 0.09 0.24 -0.25 0.00 0.00 175.52 176.25 1xky h MET 172 N 0.76 0.21 -0.65 4.72 2.86 -1.51 -1.38 114.93 119.96 1xky h MET 172 Ca 0.09 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 1xky h MET 172 Cb 0.86 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.37 1xky h MET 172 CO 0.08 0.14 0.14 1.15 1.06 0.00 0.00 176.91 179.47 1xky h THR 173 N 0.22 0.59 -0.40 2.22 2.02 -1.01 0.20 112.91 116.76 1xky h THR 173 Ca 0.23 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 1xky h THR 173 Cb 0.31 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1xky h THR 173 CO -0.31 0.05 -0.26 -0.08 0.37 0.00 0.00 175.52 175.28 1xky h GLU 174 N 0.26 0.88 -0.24 6.66 4.81 -1.14 -1.15 114.58 124.66 1xky h GLU 174 Ca 0.35 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xky h GLU 174 Cb 0.54 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1xky h GLU 174 CO -0.44 1.06 0.13 0.82 -0.73 0.00 0.00 179.01 179.85 1xky h ILE 175 N 0.69 1.12 -0.37 2.32 2.04 -0.71 -0.27 117.51 122.33 1xky h ILE 175 Ca 0.08 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1xky h ILE 175 Cb 0.84 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1xky h ILE 175 CO 0.07 0.11 0.10 0.40 0.00 0.00 0.00 178.15 178.83 1xky h ILE 176 N 0.28 0.85 -0.33 -0.67 2.04 -0.85 -1.81 117.51 117.02 1xky h ILE 176 Ca 0.08 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1xky h ILE 176 Cb 0.07 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1xky h ILE 176 CO -0.01 0.04 0.11 -0.08 0.00 0.00 0.00 178.15 178.21 1xky h GLU 177 N 0.23 0.51 0.00 2.37 4.81 -0.98 -3.28 114.58 118.24 1xky h GLU 177 Ca 0.17 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xky h GLU 177 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1xky h GLU 177 CO -0.20 0.53 -0.39 1.63 -0.73 0.00 0.00 179.01 179.85 1xky n LYS 178 N -4.68 0.12 -3.69 1.92 5.02 -0.13 -4.85 118.16 111.87 1xky n LYS 178 Ca -0.02 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 1xky n LYS 178 Cb 0.16 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 1xky n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xky s THR 179 N -3.06 4.95 0.88 -0.18 -4.23 -0.70 -5.01 115.64 108.30 1xky s THR 179 Ca 0.10 -0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1xky s THR 179 Cb 0.16 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.36 1xky s THR 179 CO 0.66 -0.36 1.11 0.00 -0.54 0.00 0.00 174.62 175.49 1xky s ALA 180 N -2.13 1.60 0.56 3.99 0.00 -1.26 -4.90 121.76 119.62 1xky s ALA 180 Ca 0.38 0.30 0.25 0.00 0.00 0.00 0.00 51.96 52.90 1xky s ALA 180 Cb -0.09 -3.33 1.56 0.00 0.00 0.00 0.00 23.12 21.26 1xky s ALA 180 CO 0.32 -2.43 2.13 -0.44 0.00 0.00 0.00 175.76 175.34 1xky h ASP 181 N -1.62 0.00 -0.37 0.00 3.32 -1.97 -1.22 116.42 114.56 1xky h ASP 181 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xky h ASP 181 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1xky h ASP 181 CO 0.48 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.10 1xky n ASP 182 N -4.08 2.57 -4.35 6.45 5.68 -1.26 -4.73 116.55 116.82 1xky n ASP 182 Ca 0.01 -2.15 -0.35 0.00 -0.50 0.00 0.00 54.79 51.79 1xky n ASP 182 Cb 0.26 -0.37 -0.14 0.00 -1.14 0.00 0.00 41.12 39.73 1xky n ASP 182 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1xky s PHE 183 N -1.62 2.99 -0.16 2.11 5.36 -0.46 -4.84 117.98 121.37 1xky s PHE 183 Ca 0.27 -0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 1xky s PHE 183 Cb 0.16 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1xky s PHE 183 CO 0.15 -0.48 0.09 0.00 -1.46 0.00 0.00 175.22 173.51 1xky s ALA 184 N 1.50 3.56 -0.25 11.12 0.00 -0.59 -4.82 121.76 132.27 1xky s ALA 184 Ca 0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1xky s ALA 184 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1xky s ALA 184 CO -0.01 0.34 0.13 0.08 0.00 0.00 0.00 175.76 176.30 1xky s VAL 185 N -0.15 4.90 -0.11 0.00 1.01 -1.26 -1.29 120.40 123.50 1xky s VAL 185 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1xky s VAL 185 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1xky s VAL 185 CO 0.01 0.32 0.02 -0.31 0.00 0.00 0.00 175.10 175.15 1xky s TYR 186 N 1.41 3.22 0.38 5.22 2.02 0.42 -0.47 117.35 129.55 1xky s TYR 186 Ca 0.06 0.19 -0.27 0.00 -0.37 0.00 0.00 57.07 56.68 1xky s TYR 186 Cb -0.15 -1.85 -0.10 0.00 -0.40 0.00 0.00 41.96 39.46 1xky s TYR 186 CO 0.06 0.43 1.40 0.45 -1.57 0.00 0.00 175.55 176.32 1xky s SER 187 N -0.66 6.36 0.00 2.29 0.15 0.13 -0.43 113.70 121.54 1xky s SER 187 Ca 0.11 2.87 0.20 0.00 0.70 0.00 0.00 55.95 59.82 1xky s SER 187 Cb -0.12 -2.66 0.43 0.00 -1.71 0.00 0.00 66.02 61.97 1xky s SER 187 CO 0.02 -0.84 1.36 0.61 1.20 0.00 0.00 173.24 175.59 1xky n GLY 188 N 0.60 1.98 2.99 9.45 0.00 -0.45 -1.07 105.19 118.68 1xky n GLY 188 Ca 0.02 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1xky n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xky s ASP 189 N -1.20 2.07 0.20 1.61 1.01 -1.26 -4.67 116.67 114.42 1xky s ASP 189 Ca 0.36 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 53.18 1xky s ASP 189 Cb 0.20 -0.89 0.24 0.00 1.01 0.00 0.00 42.92 43.48 1xky s ASP 189 CO 0.27 -0.03 1.71 0.44 0.21 0.00 0.00 175.17 177.78 1xky h ASP 190 N 7.52 0.01 -0.04 0.27 3.32 -1.91 -1.47 116.42 124.13 1xky h ASP 190 Ca -0.31 0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1xky h ASP 190 Cb 1.16 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1xky h ASP 190 CO 0.46 0.03 0.03 1.23 -1.72 0.00 0.00 179.24 179.26 1xky h GLY 191 N 0.25 0.00 -0.09 2.75 0.00 -1.93 -1.83 103.07 102.23 1xky h GLY 191 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1xky h GLY 191 CO -0.36 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.22 1xky n LEU 192 N -4.52 1.00 -0.08 3.11 4.77 -0.56 -4.47 117.00 116.26 1xky n LEU 192 Ca -0.02 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.50 1xky n LEU 192 Cb 0.13 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1xky n LEU 192 CO 0.34 0.18 0.63 0.74 -1.33 0.00 0.00 177.39 177.95 1xky h THR 193 N 1.45 0.22 0.42 -5.08 2.02 -1.29 0.11 112.91 110.76 1xky h THR 193 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xky h THR 193 Cb 0.31 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1xky h THR 193 CO 0.00 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 175.94 1xky h LEU 194 N -0.33 -0.48 -1.62 2.58 5.85 -1.83 0.07 115.31 119.55 1xky h LEU 194 Ca 0.14 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1xky h LEU 194 Cb 0.56 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1xky h LEU 194 CO -0.48 -0.18 0.01 1.55 -0.34 0.00 0.00 178.44 179.00 1xky h PRO 195 N -0.79 0.25 -0.27 5.25 0.13 -1.84 0.16 132.00 134.90 1xky h PRO 195 Ca -0.06 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1xky h PRO 195 Cb 0.54 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1xky h PRO 195 CO 0.10 0.26 -0.01 0.00 -0.23 0.00 0.00 178.00 178.12 1xky h ALA 196 N 1.77 0.36 -0.40 -0.56 0.00 -0.66 -2.95 119.26 116.83 1xky h ALA 196 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1xky h ALA 196 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xky h ALA 196 CO 0.00 0.10 0.06 0.52 0.00 0.00 0.00 179.25 179.93 1xky h MET 197 N 0.25 0.60 -0.64 0.00 2.86 -0.63 -0.59 114.93 116.78 1xky h MET 197 Ca 0.07 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1xky h MET 197 Cb 0.43 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1xky h MET 197 CO 0.01 0.58 0.42 0.00 1.06 0.00 0.00 176.91 178.99 1xky h ALA 198 N 1.49 1.79 -0.08 6.32 0.00 -0.81 -1.17 119.26 126.79 1xky h ALA 198 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xky h ALA 198 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xky h ALA 198 CO 0.00 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.68 1xky n VAL 199 N -4.48 0.09 0.00 0.00 0.24 -1.02 -4.93 118.33 108.24 1xky n VAL 199 Ca 0.09 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1xky n VAL 199 Cb 0.24 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1xky n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 200 N 1.21 1.37 3.76 7.63 0.00 -0.44 -4.81 105.19 113.90 1xky n GLY 200 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1xky n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xky s ALA 201 N -2.00 2.88 0.21 4.61 0.00 -0.26 -4.82 121.76 122.39 1xky s ALA 201 Ca 0.00 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.21 1xky s ALA 201 Cb 0.00 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.77 1xky s ALA 201 CO 0.00 -1.07 1.48 -0.22 0.00 0.00 0.00 175.76 175.96 1xky h LYS 202 N 1.71 0.00 0.00 0.00 3.64 -1.10 -3.39 116.57 117.43 1xky h LYS 202 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1xky h LYS 202 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1xky h LYS 202 CO 0.58 0.76 0.00 0.41 -2.27 0.00 0.00 179.45 178.94 1xky n GLY 203 N 0.68 -0.71 2.98 5.01 0.00 -1.25 -4.59 105.19 107.32 1xky n GLY 203 Ca -0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 1xky n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xky s ILE 204 N -4.00 0.60 -0.42 -0.61 1.10 -0.44 -0.70 121.20 116.74 1xky s ILE 204 Ca 0.00 -0.29 -0.17 0.00 -0.51 0.00 0.00 60.65 59.68 1xky s ILE 204 Cb 0.00 -0.53 0.02 0.00 0.15 0.00 0.00 42.46 42.10 1xky s ILE 204 CO 0.00 0.19 0.43 -0.69 -2.11 0.00 0.00 174.94 172.76 1xky s VAL 205 N 0.05 5.10 0.06 4.00 1.01 -0.24 -1.66 120.40 128.72 1xky s VAL 205 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1xky s VAL 205 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1xky s VAL 205 CO -0.00 -0.41 -0.07 -0.55 0.00 0.00 0.00 175.10 174.07 1xky s SER 206 N 1.80 4.60 -0.23 3.32 0.15 0.64 -4.54 113.70 119.44 1xky s SER 206 Ca 0.12 -0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 1xky s SER 206 Cb -0.17 -1.00 -0.14 0.00 -1.71 0.00 0.00 66.02 63.00 1xky s SER 206 CO 0.13 0.22 -0.23 0.52 1.20 0.00 0.00 173.24 175.08 1xky n VAL 207 N 0.99 1.33 0.25 4.45 0.31 -1.26 -1.18 118.33 123.21 1xky n VAL 207 Ca -0.14 -0.47 0.14 0.00 -0.01 0.00 0.00 64.34 63.87 1xky n VAL 207 Cb 0.52 -1.44 0.82 0.00 -0.91 0.00 0.00 33.84 32.83 1xky n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xky h ALA 208 N -0.21 1.76 -0.03 3.52 0.00 -1.96 -2.28 119.26 120.06 1xky h ALA 208 Ca -0.54 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1xky h ALA 208 Cb 1.74 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xky h ALA 208 CO -0.15 -0.10 0.24 0.66 0.00 0.00 0.00 179.25 179.90 1xky h SER 209 N 0.00 0.00 -0.16 0.00 4.64 -1.86 0.80 113.55 116.98 1xky h SER 209 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1xky h SER 209 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1xky h SER 209 CO -0.00 0.00 0.11 0.45 -0.87 0.00 0.00 176.83 176.52 1xky h HIS 210 N 0.00 0.09 0.00 4.77 3.86 -1.73 -3.05 115.15 119.08 1xky h HIS 210 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xky h HIS 210 Cb 0.49 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1xky h HIS 210 CO 0.00 0.05 -0.98 1.33 0.86 0.00 0.00 177.93 179.20 1xky n VAL 211 N -4.50 0.00 -2.41 2.45 0.24 0.06 -4.83 118.33 109.34 1xky n VAL 211 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 1xky n VAL 211 Cb 0.17 -0.57 0.05 0.00 -1.47 0.00 0.00 33.84 32.02 1xky n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xky n ILE 212 N -1.83 1.72 -0.32 1.34 -5.35 0.02 -4.87 119.36 110.07 1xky n ILE 212 Ca 0.00 -3.29 -0.00 0.00 -0.27 0.00 0.00 62.75 59.19 1xky n ILE 212 Cb 0.35 0.23 0.13 0.00 -1.74 0.00 0.00 39.64 38.61 1xky n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xky h GLY 213 N 2.20 1.28 1.09 3.28 0.00 -1.69 -1.33 103.07 107.91 1xky h GLY 213 Ca 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1xky h GLY 213 CO 0.39 0.32 0.08 3.43 0.00 0.00 0.00 176.54 180.76 1xky h ASN 214 N 1.04 1.06 -0.48 0.19 2.35 -1.88 -0.47 115.58 117.39 1xky h ASN 214 Ca 0.36 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1xky h ASN 214 Cb 0.08 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1xky h ASN 214 CO -0.14 1.06 0.24 -0.33 -1.65 0.00 0.00 177.43 176.61 1xky h GLU 215 N 1.02 0.68 -0.62 0.81 3.07 -1.82 -1.50 114.58 116.23 1xky h GLU 215 Ca 0.20 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1xky h GLU 215 Cb 0.47 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1xky h GLU 215 CO 0.02 0.56 0.17 0.52 -1.40 0.00 0.00 179.01 178.88 1xky h MET 216 N 0.63 0.96 -0.36 2.33 2.86 -1.03 0.61 114.93 120.94 1xky h MET 216 Ca 0.17 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1xky h MET 216 Cb 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1xky h MET 216 CO -0.02 0.84 0.22 0.37 1.06 0.00 0.00 176.91 179.38 1xky h GLN 217 N 0.92 0.48 -0.46 1.72 4.15 -0.80 -1.29 115.11 119.83 1xky h GLN 217 Ca 0.20 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 1xky h GLN 217 Cb 0.30 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1xky h GLN 217 CO -0.00 0.36 -0.12 1.49 -1.93 0.00 0.00 178.83 178.62 1xky h GLU 218 N 0.47 0.85 -0.28 1.69 4.57 -0.98 -1.58 114.58 119.32 1xky h GLU 218 Ca 0.13 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 1xky h GLU 218 Cb -0.00 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1xky h GLU 218 CO -0.02 0.93 0.07 1.98 -1.18 0.00 0.00 179.01 180.79 1xky h MET 219 N 0.76 0.18 -0.49 1.92 4.05 -0.66 -0.68 114.93 120.01 1xky h MET 219 Ca 0.12 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.41 1xky h MET 219 Cb 0.63 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1xky h MET 219 CO 0.04 0.12 -0.18 0.82 0.23 0.00 0.00 176.91 177.94 1xky h ILE 220 N 0.19 1.27 -0.36 1.77 2.04 -1.09 -0.04 117.51 121.28 1xky h ILE 220 Ca 0.13 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1xky h ILE 220 Cb 0.11 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1xky h ILE 220 CO -0.15 0.46 0.16 0.00 0.00 0.00 0.00 178.15 178.62 1xky h ALA 221 N 0.93 0.47 -0.38 1.87 0.00 -1.16 0.40 119.26 121.39 1xky h ALA 221 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xky h ALA 221 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xky h ALA 221 CO 0.06 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.60 1xky h ALA 222 N 1.00 0.48 0.29 0.00 0.00 -1.01 -0.69 119.26 119.34 1xky h ALA 222 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xky h ALA 222 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xky h ALA 222 CO -0.01 -0.04 -0.15 0.35 0.00 0.00 0.00 179.25 179.39 1xky h PHE 223 N 0.51 -0.39 -0.08 0.00 3.57 -0.81 0.35 116.94 120.08 1xky h PHE 223 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1xky h PHE 223 Cb -0.03 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1xky h PHE 223 CO -0.04 -0.24 -0.02 1.96 -2.23 0.00 0.00 178.31 177.73 1xky h GLN 224 N -0.41 0.11 0.00 1.11 4.20 -0.84 0.02 115.11 119.30 1xky h GLN 224 Ca -0.04 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1xky h GLN 224 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1xky h GLN 224 CO 0.06 0.15 -0.46 0.00 -0.67 0.00 0.00 178.83 177.90 1xky h ALA 225 N 1.87 0.97 0.00 3.87 0.00 -0.89 -3.47 119.26 121.61 1xky h ALA 225 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xky h ALA 225 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xky h ALA 225 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1xky n GLY 226 N 0.28 0.87 3.42 0.00 0.00 -0.01 -5.03 105.19 104.73 1xky n GLY 226 Ca -0.00 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 1xky n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xky s GLU 227 N -0.57 3.93 0.38 1.61 -6.30 -0.00 -4.87 118.70 112.88 1xky s GLU 227 Ca 0.00 -2.50 0.20 0.00 -2.50 0.00 0.00 54.97 50.17 1xky s GLU 227 Cb 0.00 -4.84 0.62 0.00 0.00 0.00 0.00 34.13 29.91 1xky s GLU 227 CO 0.00 -1.60 1.70 0.74 0.02 0.00 0.00 175.26 176.12 1xky h PHE 228 N 7.55 0.00 0.27 5.30 0.04 -1.91 -2.48 116.94 125.71 1xky h PHE 228 Ca 0.22 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1xky h PHE 228 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1xky h PHE 228 CO 1.04 0.33 -0.13 0.87 -0.60 0.00 0.00 178.31 179.82 1xky h LYS 229 N 0.00 -0.35 -0.56 1.51 1.79 -1.96 0.13 116.57 117.13 1xky h LYS 229 Ca -0.00 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1xky h LYS 229 Cb 0.96 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1xky h LYS 229 CO 0.04 -0.09 0.16 -0.22 -1.08 0.00 0.00 179.45 178.26 1xky h LYS 230 N -0.59 0.89 -0.71 3.15 3.64 -1.96 -1.67 116.57 119.32 1xky h LYS 230 Ca -0.04 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1xky h LYS 230 Cb 0.43 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 1xky h LYS 230 CO 0.06 0.82 0.41 0.00 -2.27 0.00 0.00 179.45 178.46 1xky h ALA 231 N 1.03 0.96 -0.38 5.00 0.00 -1.36 -1.71 119.26 122.80 1xky h ALA 231 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1xky h ALA 231 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xky h ALA 231 CO -0.00 0.09 -0.10 1.96 0.00 0.00 0.00 179.25 181.20 1xky h GLN 232 N 0.74 0.66 -0.47 0.00 4.20 -0.56 0.08 115.11 119.76 1xky h GLN 232 Ca 0.32 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1xky h GLN 232 Cb 0.20 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1xky h GLN 232 CO -0.18 0.75 0.21 -0.22 -0.67 0.00 0.00 178.83 178.71 1xky h LYS 233 N 0.61 0.69 -0.02 1.46 3.64 -0.54 -1.91 116.57 120.50 1xky h LYS 233 Ca 0.11 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1xky h LYS 233 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1xky h LYS 233 CO 0.03 0.59 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.93 1xky h LEU 234 N 0.62 0.31 -0.83 5.20 3.38 -1.15 -3.01 115.31 119.82 1xky h LEU 234 Ca 0.16 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1xky h LEU 234 Cb 0.14 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1xky h LEU 234 CO -0.02 0.99 0.49 -0.74 0.09 0.00 0.00 178.44 179.26 1xky h HIS 235 N 0.15 0.90 -0.71 1.13 2.76 -0.85 -0.14 115.15 118.40 1xky h HIS 235 Ca -0.04 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1xky h HIS 235 Cb 1.40 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 1xky h HIS 235 CO 0.03 0.41 0.43 1.96 -1.30 0.00 0.00 177.93 179.46 1xky h GLN 236 N 0.86 0.96 -0.19 5.26 4.20 -1.22 -1.49 115.11 123.49 1xky h GLN 236 Ca 0.38 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1xky h GLN 236 Cb 0.27 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xky h GLN 236 CO -0.21 0.68 0.10 1.25 -0.67 0.00 0.00 178.83 179.97 1xky h LEU 237 N 0.96 0.25 -0.41 1.46 5.85 -1.35 -2.32 115.31 119.75 1xky h LEU 237 Ca 0.25 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1xky h LEU 237 Cb -0.04 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1xky h LEU 237 CO -0.05 0.29 0.13 0.25 -0.34 0.00 0.00 178.44 178.73 1xky h LEU 238 N 0.19 0.13 -0.39 2.25 5.85 -0.70 0.92 115.31 123.55 1xky h LEU 238 Ca 0.07 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xky h LEU 238 Cb 0.10 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1xky h LEU 238 CO -0.01 0.11 0.23 0.58 -0.34 0.00 0.00 178.44 179.01 1xky h VAL 239 N 0.29 1.13 0.20 1.05 2.07 -1.24 0.12 116.25 119.87 1xky h VAL 239 Ca 0.19 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xky h VAL 239 Cb 0.19 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xky h VAL 239 CO -0.20 0.13 -0.10 -0.09 0.02 0.00 0.00 177.57 177.33 1xky h ARG 240 N 0.51 -0.26 -0.49 1.57 2.43 -0.98 -1.11 114.38 116.05 1xky h ARG 240 Ca 0.14 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xky h ARG 240 Cb 0.01 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1xky h ARG 240 CO -0.03 -0.09 0.30 0.28 -1.51 0.00 0.00 179.97 178.93 1xky h VAL 241 N -0.37 1.15 -0.28 0.20 2.07 -0.70 -2.82 116.25 115.49 1xky h VAL 241 Ca -0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1xky h VAL 241 Cb 0.29 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1xky h VAL 241 CO 0.05 0.15 0.16 0.74 0.02 0.00 0.00 177.57 178.68 1xky h THR 242 N 0.66 1.12 -0.92 2.57 2.02 -0.68 -2.52 112.91 115.16 1xky h THR 242 Ca 0.18 -0.33 0.14 0.00 0.77 0.00 0.00 66.41 67.17 1xky h THR 242 Cb -0.03 0.83 -0.09 0.00 -1.74 0.00 0.00 68.15 67.12 1xky h THR 242 CO -0.03 0.12 0.54 0.44 0.37 0.00 0.00 175.52 176.96 1xky h ASP 243 N 0.34 0.72 0.72 4.18 3.32 -1.08 -1.10 116.42 123.52 1xky h ASP 243 Ca 0.10 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1xky h ASP 243 Cb 0.06 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xky h ASP 243 CO -0.02 0.33 -0.16 0.77 -1.72 0.00 0.00 179.24 178.45 1xky h SER 244 N 0.78 0.00 0.59 6.45 4.64 -1.20 -2.54 113.55 122.27 1xky h SER 244 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1xky h SER 244 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1xky h SER 244 CO -0.32 0.16 -0.11 0.18 -0.87 0.00 0.00 176.83 175.87 1xky n LEU 245 N -3.42 0.24 -0.13 5.97 4.32 -0.42 -3.77 117.00 119.79 1xky n LEU 245 Ca -0.01 0.20 0.07 0.00 -0.02 0.00 0.00 56.01 56.25 1xky n LEU 245 Cb 0.34 -0.29 0.10 0.00 -1.62 0.00 0.00 43.42 41.94 1xky n LEU 245 CO 0.31 0.05 0.50 0.49 -1.22 0.00 0.00 177.39 177.52 1xky n PHE 246 N -1.24 0.00 0.16 -1.77 3.72 -0.96 -4.48 117.46 112.89 1xky n PHE 246 Ca 0.11 -0.75 0.04 0.00 -0.05 0.00 0.00 57.45 56.81 1xky n PHE 246 Cb 0.29 -0.12 0.20 0.00 -0.94 0.00 0.00 39.48 38.91 1xky n PHE 246 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1xky h MET 247 N 0.00 0.00 -5.90 -1.08 2.86 -1.64 -3.44 114.93 105.74 1xky h MET 247 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 1xky h MET 247 Cb 1.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.55 1xky h MET 247 CO 0.00 0.45 -0.62 0.00 1.06 0.00 0.00 176.91 177.80 1xky s ALA 248 N -3.31 3.15 -0.11 6.32 0.00 -1.26 -5.08 121.76 121.48 1xky s ALA 248 Ca 0.02 -2.10 -0.32 0.00 0.00 0.00 0.00 51.96 49.55 1xky s ALA 248 Cb 0.09 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.98 1xky s ALA 248 CO 0.71 0.00 2.00 -2.30 0.00 0.00 0.00 175.76 176.17 1xky n PRO 249 N -0.93 2.21 -2.00 0.00 -0.02 -1.26 -4.73 135.00 128.26 1xky n PRO 249 Ca -0.04 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 1xky n PRO 249 Cb 0.64 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1xky n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xky s SER 250 N 5.24 6.63 -0.18 2.55 0.15 -1.26 -1.95 113.70 124.88 1xky s SER 250 Ca 0.95 2.70 0.16 0.00 0.70 0.00 0.00 55.95 60.46 1xky s SER 250 Cb -0.58 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 61.65 1xky s SER 250 CO 0.46 -0.71 1.44 -0.81 1.20 0.00 0.00 173.24 174.83 1xky n PRO 251 N 2.17 3.08 -0.16 5.44 -0.04 -1.26 -4.93 135.00 139.30 1xky n PRO 251 Ca 0.06 -2.85 -0.08 0.00 -0.04 0.00 0.00 63.50 60.58 1xky n PRO 251 Cb 0.40 -1.87 0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1xky n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xky h THR 252 N 1.98 1.26 -0.49 0.52 2.02 -1.71 -1.49 112.91 115.01 1xky h THR 252 Ca 0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1xky h THR 252 Cb 1.47 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1xky h THR 252 CO 0.24 0.43 0.25 -0.65 0.37 0.00 0.00 175.52 176.16 1xky h PRO 253 N 0.86 0.69 -0.45 6.66 0.11 -1.79 -2.30 132.00 135.78 1xky h PRO 253 Ca 0.14 -0.09 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 1xky h PRO 253 Cb 0.62 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1xky h PRO 253 CO 0.04 0.56 -0.23 -0.24 -0.21 0.00 0.00 178.00 177.93 1xky h VAL 254 N 0.64 1.27 -0.73 3.15 3.04 -1.59 0.82 116.25 122.85 1xky h VAL 254 Ca 0.17 -1.38 0.04 0.00 -1.01 0.00 0.00 66.70 64.52 1xky h VAL 254 Cb 0.09 1.17 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 1xky h VAL 254 CO -0.02 0.47 0.45 0.11 -1.01 0.00 0.00 177.57 177.56 1xky h LYS 255 N 0.79 0.83 -0.37 4.17 1.57 -1.33 -0.09 116.57 122.15 1xky h LYS 255 Ca 0.10 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1xky h LYS 255 Cb 0.79 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xky h LYS 255 CO 0.07 0.55 -0.17 1.15 -0.57 0.00 0.00 179.45 180.47 1xky h THR 256 N 0.85 1.28 -0.86 -0.16 2.02 -1.06 -2.04 112.91 112.94 1xky h THR 256 Ca 0.31 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1xky h THR 256 Cb 0.08 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1xky h THR 256 CO -0.14 0.43 0.54 0.00 0.37 0.00 0.00 175.52 176.71 1xky h ALA 257 N 0.80 1.32 -0.30 6.16 0.00 -0.61 -0.30 119.26 126.33 1xky h ALA 257 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xky h ALA 257 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xky h ALA 257 CO 0.05 0.60 0.18 -0.07 0.00 0.00 0.00 179.25 180.01 1xky h LEU 258 N 1.19 0.36 -0.78 0.00 3.38 -0.88 -2.23 115.31 116.35 1xky h LEU 258 Ca 0.31 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1xky h LEU 258 Cb -0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1xky h LEU 258 CO -0.06 0.30 0.47 -0.61 0.09 0.00 0.00 178.44 178.63 1xky h GLN 259 N 0.38 0.84 -0.12 1.13 -0.00 -0.93 0.52 115.11 116.93 1xky h GLN 259 Ca 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1xky h GLN 259 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.29 1xky h GLN 259 CO -0.02 0.56 0.08 0.52 0.00 0.00 0.00 178.83 179.96 1xky h MET 260 N 0.87 0.16 -0.79 1.69 2.86 -0.61 -1.84 114.93 117.28 1xky h MET 260 Ca 0.34 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.69 1xky h MET 260 Cb 0.15 -0.04 -0.17 0.00 0.06 0.00 0.00 31.60 31.61 1xky h MET 260 CO -0.17 0.11 0.35 1.33 1.06 0.00 0.00 176.91 179.59 1xky n VAL 261 N -4.52 2.99 -0.76 -2.22 0.24 -0.88 -4.94 118.33 108.24 1xky n VAL 261 Ca -0.01 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 1xky n VAL 261 Cb 0.08 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1xky n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 262 N -0.41 0.65 3.00 7.63 0.00 -0.69 -4.99 105.19 110.38 1xky n GLY 262 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 1xky n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xky s LEU 263 N 0.00 5.09 -0.10 0.99 0.20 0.13 -4.98 118.68 120.01 1xky s LEU 263 Ca 0.00 -3.67 -0.30 0.00 0.69 0.00 0.00 54.13 50.86 1xky s LEU 263 Cb 0.00 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 1xky s LEU 263 CO 0.00 -0.15 1.35 -0.62 -0.29 0.00 0.00 176.35 176.64 1xky s ASP 264 N -0.72 6.89 -0.13 3.68 -1.08 -1.26 -2.67 116.67 121.39 1xky s ASP 264 Ca 0.25 1.88 0.17 0.00 -0.52 0.00 0.00 52.55 54.32 1xky s ASP 264 Cb -0.08 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1xky s ASP 264 CO -0.13 -0.76 1.20 1.33 0.52 0.00 0.00 175.17 177.33 1xky n VAL 265 N 5.19 1.88 -4.27 1.11 0.24 -1.26 -4.95 118.33 116.27 1xky n VAL 265 Ca 0.14 -2.07 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1xky n VAL 265 Cb 0.44 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1xky n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xky n GLY 266 N -1.14 -1.02 0.00 7.63 0.00 -1.24 -1.68 105.19 107.74 1xky n GLY 266 Ca 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1xky n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xky n SER 267 N -0.66 0.14 -4.38 1.61 2.88 -1.26 -4.78 113.62 107.16 1xky n SER 267 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1xky n SER 267 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1xky n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xky s VAL 268 N 2.36 1.53 -0.09 2.46 -7.23 -1.26 -4.62 120.40 113.55 1xky s VAL 268 Ca 0.00 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 1xky s VAL 268 Cb 0.00 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1xky s VAL 268 CO 0.00 -0.40 0.12 -0.13 -0.31 0.00 0.00 175.10 174.39 1xky s ARG 269 N -3.73 3.36 0.32 4.82 0.52 -1.26 -4.84 118.95 118.13 1xky s ARG 269 Ca 0.27 -0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 54.99 1xky s ARG 269 Cb 0.03 -3.10 -0.13 0.00 0.52 0.00 0.00 34.95 32.26 1xky s ARG 269 CO 0.10 0.75 1.11 1.28 0.02 0.00 0.00 175.30 178.55 1xky n LEU 270 N 1.80 2.49 -0.02 2.53 4.77 -1.26 -1.67 117.00 125.65 1xky n LEU 270 Ca -0.18 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.04 1xky n LEU 270 Cb 0.54 -1.36 0.40 0.00 -2.33 0.00 0.00 43.42 40.67 1xky n LEU 270 CO 0.33 -1.09 0.76 -0.81 -1.33 0.00 0.00 177.39 175.25 1xky n PRO 271 N 0.60 1.02 -2.80 3.23 -0.04 -1.26 -4.95 135.00 130.80 1xky n PRO 271 Ca 0.08 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1xky n PRO 271 Cb 0.34 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1xky n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xky s LEU 272 N -1.42 3.87 0.16 1.53 1.43 -0.67 -5.09 118.68 118.49 1xky s LEU 272 Ca 0.21 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 1xky s LEU 272 Cb 0.10 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1xky s LEU 272 CO 0.16 -0.38 -0.14 -0.76 0.23 0.00 0.00 176.35 175.46 1xky s LEU 273 N -3.47 2.49 0.69 1.79 1.43 -1.26 -4.42 118.68 115.93 1xky s LEU 273 Ca 0.57 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1xky s LEU 273 Cb -0.10 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1xky s LEU 273 CO 0.22 -0.18 1.15 -2.65 0.23 0.00 0.00 176.35 175.12 1xky n PRO 274 N 0.02 0.75 -1.71 1.29 -0.02 -1.26 -4.89 135.00 129.17 1xky n PRO 274 Ca -0.11 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1xky n PRO 274 Cb 0.59 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1xky n PRO 274 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xky n LEU 275 N -1.98 4.18 -4.66 2.45 4.32 -1.26 -5.01 117.00 115.04 1xky n LEU 275 Ca 0.14 1.13 -0.29 0.00 -0.02 0.00 0.00 56.01 56.97 1xky n LEU 275 Cb 0.49 -1.52 0.17 0.00 -1.62 0.00 0.00 43.42 40.94 1xky n LEU 275 CO 0.48 -0.51 0.63 0.42 -1.22 0.00 0.00 177.39 177.19 1xky s THR 276 N -1.18 2.31 0.37 -5.08 -4.23 -1.26 -4.79 115.64 101.78 1xky s THR 276 Ca 0.60 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1xky s THR 276 Cb -0.50 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.10 1xky s THR 276 CO 0.59 -0.13 2.02 -0.08 -0.54 0.00 0.00 174.62 176.47 1xky h GLU 277 N -1.88 0.70 -0.24 3.99 4.57 -1.99 0.07 114.58 119.81 1xky h GLU 277 Ca -0.53 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.53 1xky h GLU 277 Cb 1.31 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1xky h GLU 277 CO 0.54 0.49 -0.11 0.93 -1.18 0.00 0.00 179.01 179.68 1xky h GLU 278 N 0.72 0.49 -0.73 1.92 3.07 -1.99 -1.31 114.58 116.75 1xky h GLU 278 Ca 0.19 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1xky h GLU 278 Cb -0.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1xky h GLU 278 CO -0.04 0.75 0.35 0.93 -1.40 0.00 0.00 179.01 179.61 1xky h GLU 279 N 0.22 1.03 -0.19 2.33 5.08 -1.84 -1.61 114.58 119.60 1xky h GLU 279 Ca 0.05 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xky h GLU 279 Cb 0.60 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1xky h GLU 279 CO 0.03 0.80 0.06 -0.09 -1.00 0.00 0.00 179.01 178.81 1xky h ARG 280 N 1.03 0.29 -0.77 2.33 2.43 -0.87 -1.17 114.38 117.66 1xky h ARG 280 Ca 0.25 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1xky h ARG 280 Cb 0.10 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1xky h ARG 280 CO -0.03 0.40 0.50 0.28 -1.51 0.00 0.00 179.97 179.61 1xky h VAL 281 N 0.13 1.20 -0.26 0.20 2.07 -1.12 0.86 116.25 119.34 1xky h VAL 281 Ca 0.06 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xky h VAL 281 Cb 0.23 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1xky h VAL 281 CO -0.00 0.19 0.15 0.74 0.02 0.00 0.00 177.57 178.67 1xky h THR 282 N 1.04 1.11 -0.55 2.57 2.02 -1.16 -2.13 112.91 115.80 1xky h THR 282 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1xky h THR 282 Cb -0.11 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1xky h THR 282 CO -0.06 0.10 0.22 0.25 0.37 0.00 0.00 175.52 176.41 1xky h LEU 283 N 0.32 0.76 -1.02 2.58 5.85 -1.02 -3.00 115.31 119.78 1xky h LEU 283 Ca 0.09 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1xky h LEU 283 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1xky h LEU 283 CO -0.02 0.72 0.65 -0.61 -0.34 0.00 0.00 178.44 178.84 1xky h GLN 284 N 0.75 1.16 -0.08 1.25 4.15 -0.65 -0.69 115.11 121.00 1xky h GLN 284 Ca 0.18 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 1xky h GLN 284 Cb 0.19 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1xky h GLN 284 CO -0.02 0.77 -0.43 0.77 -1.93 0.00 0.00 178.83 177.99 1xky h SER 285 N 1.19 0.20 -0.03 -0.69 0.02 -1.25 0.15 113.55 113.15 1xky h SER 285 Ca 0.42 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1xky h SER 285 Cb 0.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1xky h SER 285 CO -0.16 0.61 -0.21 0.58 -1.14 0.00 0.00 176.83 176.51 1xky h VAL 286 N 0.16 1.49 -1.00 2.27 2.07 -1.31 -3.06 116.25 116.87 1xky h VAL 286 Ca 0.01 -1.75 0.10 0.00 0.82 0.00 0.00 66.70 65.88 1xky h VAL 286 Cb 0.83 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 33.06 1xky h VAL 286 CO 0.06 0.48 0.64 0.24 0.02 0.00 0.00 177.57 179.01 1xky h MET 287 N -0.40 1.03 0.00 1.57 2.07 -0.98 -0.94 114.93 117.28 1xky h MET 287 Ca -0.02 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1xky h MET 287 Cb 0.89 -0.23 -0.00 0.00 -1.87 0.00 0.00 31.60 30.39 1xky h MET 287 CO 0.04 0.68 -0.01 1.96 1.07 0.00 0.00 176.91 180.66 1xky h GLN 288 N 1.06 0.00 -0.00 1.72 4.20 -1.02 -2.63 115.11 118.44 1xky h GLN 288 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1xky h GLN 288 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xky h GLN 288 CO -0.23 0.01 -0.06 -1.13 -0.67 0.00 0.00 178.83 176.74 1xky n SER 289 N -3.10 0.40 -4.69 1.46 3.41 -0.36 -4.84 113.62 105.90 1xky n SER 289 Ca 0.00 -0.67 -0.42 0.00 -0.26 0.00 0.00 58.87 57.52 1xky n SER 289 Cb 0.29 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1xky n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xky s ILE 290 N -2.35 3.70 0.30 -1.33 1.01 -1.00 -4.97 121.20 116.56 1xky s ILE 290 Ca 0.33 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 1xky s ILE 290 Cb 0.21 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1xky s ILE 290 CO 0.44 0.01 1.51 -2.84 0.00 0.00 0.00 174.94 174.06 1xky s PRO 291 N 2.24 4.17 0.00 2.79 0.02 -1.26 -5.10 135.00 137.86 1xky s PRO 291 Ca 0.64 2.48 0.02 0.00 0.02 0.00 0.00 61.00 64.15 1xky s PRO 291 Cb -0.32 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.18 1xky s PRO 291 CO 0.27 -0.52 0.56 0.54 -0.33 0.00 0.00 177.00 177.52