#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw0 h THR 3 N 0.00 1.55 -0.97 2.61 2.02 -1.96 -3.38 112.91 112.77 3kw0 h THR 3 Ca 0.00 -2.00 0.24 0.00 0.77 0.00 0.00 66.41 65.42 3kw0 h THR 3 Cb 0.00 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.19 3kw0 h THR 3 CO 0.00 0.50 0.64 -2.24 0.37 0.00 0.00 175.52 174.79 3kw0 h ASP 4 N -0.92 0.38 -0.49 4.18 2.03 -2.01 -2.20 116.42 117.39 3kw0 h ASP 4 Ca -0.00 0.05 0.14 0.00 -0.73 0.00 0.00 57.03 56.49 3kw0 h ASP 4 Cb 0.82 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.29 3kw0 h ASP 4 CO 0.00 0.12 0.50 0.50 -1.03 0.00 0.00 179.24 179.33 3kw0 h LYS 5 N 0.36 0.00 -0.01 4.15 3.64 -1.97 -0.87 116.57 121.87 3kw0 h LYS 5 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 3kw0 h LYS 5 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3kw0 h LYS 5 CO -0.20 0.00 -0.01 1.19 -2.27 0.00 0.00 179.45 178.16 3kw0 n PHE 6 N -3.75 0.00 0.09 1.91 3.01 -0.83 -4.76 117.46 113.13 3kw0 n PHE 6 Ca 0.09 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.57 3kw0 n PHE 6 Cb 0.70 0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.55 3kw0 n PHE 6 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3kw0 h ASN 7 N 2.22 0.28 -0.44 4.37 2.35 -1.24 -3.13 115.58 119.98 3kw0 h ASN 7 Ca 0.00 -0.05 -0.33 0.00 -0.55 0.00 0.00 56.30 55.37 3kw0 h ASN 7 Cb 0.48 -0.07 -0.32 0.00 0.05 0.00 0.00 38.32 38.45 3kw0 h ASN 7 CO 0.00 0.41 -0.82 0.59 -1.65 0.00 0.00 177.43 175.96 3kw0 n ASN 8 N -4.29 3.18 -4.83 5.81 5.03 -1.26 -5.06 115.26 113.85 3kw0 n ASN 8 Ca -0.00 -3.30 -0.33 0.00 0.87 0.00 0.00 54.58 51.82 3kw0 n ASN 8 Cb 0.25 -0.41 -0.04 0.00 -1.02 0.00 0.00 39.78 38.56 3kw0 n ASN 8 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3kw0 s ILE 9 N -3.71 4.38 0.34 2.41 1.10 -1.19 -4.98 121.20 119.55 3kw0 s ILE 9 Ca 0.42 1.27 -0.28 0.00 -0.51 0.00 0.00 60.65 61.54 3kw0 s ILE 9 Cb 0.38 -3.64 -0.10 0.00 0.15 0.00 0.00 42.46 39.25 3kw0 s ILE 9 CO -0.02 -0.53 1.31 -1.59 -2.11 0.00 0.00 174.94 172.00 3kw0 s LYS 10 N -3.74 4.29 -0.35 3.50 -2.85 -1.26 -4.69 119.74 114.65 3kw0 s LYS 10 Ca 0.61 2.21 -0.18 0.00 -1.00 0.00 0.00 55.97 57.61 3kw0 s LYS 10 Cb -0.11 -3.02 -0.00 0.00 -2.06 0.00 0.00 37.83 32.64 3kw0 s LYS 10 CO 0.25 -0.24 0.51 0.42 0.10 0.00 0.00 175.35 176.39 3kw0 s ILE 11 N -1.16 5.02 0.03 3.79 -1.09 -1.26 -1.84 121.20 124.68 3kw0 s ILE 11 Ca 0.50 0.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.28 3kw0 s ILE 11 Cb -0.40 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 3kw0 s ILE 11 CO 0.52 -0.22 -0.04 -1.81 -1.23 0.00 0.00 174.94 172.16 3kw0 s ASP 12 N 1.76 4.81 0.32 3.58 1.01 0.03 -4.84 116.67 123.33 3kw0 s ASP 12 Ca 0.18 -0.15 -0.28 0.00 0.71 0.00 0.00 52.55 53.02 3kw0 s ASP 12 Cb -0.15 -1.14 -0.09 0.00 1.01 0.00 0.00 42.92 42.54 3kw0 s ASP 12 CO 0.13 0.25 1.09 -0.54 0.21 0.00 0.00 175.17 176.31 3kw0 s LYS 13 N -1.73 4.47 0.24 8.23 1.02 -1.26 -0.12 119.74 130.59 3kw0 s LYS 13 Ca 0.20 1.72 -0.05 0.00 0.02 0.00 0.00 55.97 57.86 3kw0 s LYS 13 Cb -0.11 -2.97 0.45 0.00 -0.52 0.00 0.00 37.83 34.68 3kw0 s LYS 13 CO 0.11 0.08 1.70 -0.92 -0.92 0.00 0.00 175.35 175.41 3kw0 h TYR 14 N 3.37 0.35 -1.00 3.18 3.20 -1.94 -0.89 116.97 123.23 3kw0 h TYR 14 Ca -0.47 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.53 3kw0 h TYR 14 Cb 1.21 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.37 3kw0 h TYR 14 CO 0.58 -0.04 0.64 0.93 -1.64 0.00 0.00 178.16 178.63 3kw0 h GLU 15 N 0.32 1.05 -0.16 1.82 3.07 -2.02 -2.23 114.58 116.43 3kw0 h GLU 15 Ca 0.41 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 59.02 3kw0 h GLU 15 Cb 0.68 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3kw0 h GLU 15 CO -0.47 0.69 -0.67 -0.91 -1.40 0.00 0.00 179.01 176.25 3kw0 h ASN 16 N 1.08 0.71 0.06 1.42 -0.26 -1.56 -3.32 115.58 113.71 3kw0 h ASN 16 Ca 0.47 -0.43 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3kw0 h ASN 16 Cb 0.35 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3kw0 h ASN 16 CO -0.23 1.19 -0.25 -0.07 -1.06 0.00 0.00 177.43 177.01 3kw0 h LEU 17 N 0.44 0.32 -0.99 1.61 3.38 -0.84 -3.22 115.31 116.01 3kw0 h LEU 17 Ca -0.02 -0.10 0.29 0.00 0.09 0.00 0.00 57.88 58.14 3kw0 h LEU 17 Cb 1.26 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 3kw0 h LEU 17 CO 0.13 0.58 0.10 0.40 0.09 0.00 0.00 178.44 179.74 3kw0 h ILE 18 N 0.29 0.03 0.00 1.22 1.08 -1.59 0.11 117.51 118.64 3kw0 h ILE 18 Ca 0.04 -0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.41 3kw0 h ILE 18 Cb 0.61 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 3kw0 h ILE 18 CO 0.04 0.00 -0.49 0.78 -0.69 0.00 0.00 178.15 177.80 3kw0 h ASN 19 N 0.01 0.00 1.11 1.72 2.35 -1.79 -3.15 115.58 115.83 3kw0 h ASN 19 Ca 0.63 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.20 3kw0 h ASN 19 Cb 1.36 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 3kw0 h ASN 19 CO -0.90 0.49 -0.91 0.58 -1.65 0.00 0.00 177.43 175.04 3kw0 h VAL 20 N 0.00 1.25 -4.00 2.81 2.07 -0.98 -3.47 116.25 113.93 3kw0 h VAL 20 Ca -0.00 -2.83 -0.52 0.00 0.82 0.00 0.00 66.70 64.17 3kw0 h VAL 20 Cb 0.89 2.60 0.08 0.00 -1.52 0.00 0.00 31.29 33.34 3kw0 h VAL 20 CO 0.06 0.71 0.52 -0.76 0.02 0.00 0.00 177.57 178.13 3kw0 s LEU 21 N -6.50 4.02 0.04 2.57 1.43 -0.73 -5.05 118.68 114.47 3kw0 s LEU 21 Ca 0.01 2.43 0.05 0.00 -1.03 0.00 0.00 54.13 55.59 3kw0 s LEU 21 Cb 0.09 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3kw0 s LEU 21 CO 0.79 -1.01 -0.13 -0.54 0.23 0.00 0.00 176.35 175.70 3kw0 s LYS 22 N -2.64 0.85 0.20 1.70 1.02 -1.26 -5.03 119.74 114.57 3kw0 s LYS 22 Ca 0.64 -0.77 -0.33 0.00 0.02 0.00 0.00 55.97 55.53 3kw0 s LYS 22 Cb -0.32 -0.84 -0.14 0.00 -0.52 0.00 0.00 37.83 36.01 3kw0 s LYS 22 CO 0.39 0.20 1.46 2.41 -0.92 0.00 0.00 175.35 178.90 3kw0 n THR 23 N 1.79 0.52 0.00 2.17 -1.04 -1.26 -1.36 114.28 115.10 3kw0 n THR 23 Ca -0.19 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3kw0 n THR 23 Cb 0.55 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 3kw0 n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kw0 n GLY 24 N 2.66 0.91 3.73 3.41 0.00 0.38 -4.98 105.19 111.30 3kw0 n GLY 24 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3kw0 n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kw0 s ASP 25 N -1.78 4.51 -0.22 1.61 1.01 -0.47 -4.64 116.67 116.68 3kw0 s ASP 25 Ca 0.00 2.47 -0.08 0.00 0.71 0.00 0.00 52.55 55.65 3kw0 s ASP 25 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3kw0 s ASP 25 CO 0.00 -2.06 0.09 -0.63 0.21 0.00 0.00 175.17 172.78 3kw0 s ILE 26 N -1.68 4.77 0.07 0.77 1.01 -0.22 -0.46 121.20 125.46 3kw0 s ILE 26 Ca 0.78 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 3kw0 s ILE 26 Cb -0.33 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 3kw0 s ILE 26 CO 0.41 0.38 0.52 0.12 0.00 0.00 0.00 174.94 176.37 3kw0 s PHE 27 N 1.04 3.75 0.00 3.97 5.36 0.10 -1.25 117.98 130.96 3kw0 s PHE 27 Ca 0.05 1.16 0.01 0.00 -0.96 0.00 0.00 56.93 57.19 3kw0 s PHE 27 Cb -0.14 -2.42 -0.01 0.00 -0.34 0.00 0.00 43.02 40.12 3kw0 s PHE 27 CO 0.03 0.57 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.81 3kw0 s LEU 28 N -1.28 2.04 0.05 6.12 1.43 -0.47 -1.59 118.68 124.98 3kw0 s LEU 28 Ca 0.29 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3kw0 s LEU 28 Cb -0.18 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 3kw0 s LEU 28 CO 0.18 0.02 -0.04 0.00 0.23 0.00 0.00 176.35 176.73 3kw0 s SER 30 N -2.51 4.01 0.41 0.00 0.15 -0.43 -0.80 113.70 114.54 3kw0 s SER 30 Ca 0.01 -2.59 -0.01 0.00 0.70 0.00 0.00 55.95 54.06 3kw0 s SER 30 Cb 0.02 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 3kw0 s SER 30 CO -0.06 -0.28 0.65 -0.83 1.20 0.00 0.00 173.24 173.92 3kw0 s GLY 31 N 0.35 1.44 0.00 9.45 0.00 -1.26 -1.60 107.32 115.70 3kw0 s GLY 31 Ca 0.16 -0.82 0.15 0.00 0.00 0.00 0.00 44.72 44.20 3kw0 s GLY 31 CO -0.03 -0.70 1.29 0.70 0.00 0.00 0.00 173.10 174.36 3kw0 n ASN 32 N -2.01 3.12 -4.78 1.64 3.02 -0.50 -4.42 115.26 111.33 3kw0 n ASN 32 Ca -0.02 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 3kw0 n ASN 32 Cb 0.56 -0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 3kw0 n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kw0 s TYR 33 N -1.04 2.73 0.13 3.10 2.02 -1.26 -4.82 117.35 118.21 3kw0 s TYR 33 Ca 0.30 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.31 3kw0 s TYR 33 Cb 0.16 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 3kw0 s TYR 33 CO 0.21 -1.56 1.67 -0.07 -1.57 0.00 0.00 175.55 174.24 3kw0 h LEU 34 N -0.20 -0.44 -1.25 -1.29 3.38 -1.99 -0.00 115.31 113.51 3kw0 h LEU 34 Ca -0.46 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3kw0 h LEU 34 Cb 1.23 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.15 3kw0 h LEU 34 CO 0.54 -0.19 0.53 0.58 0.09 0.00 0.00 178.44 179.99 3kw0 h VAL 35 N -0.18 1.11 -0.41 1.22 2.07 -1.99 -0.99 116.25 117.08 3kw0 h VAL 35 Ca 0.09 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kw0 h VAL 35 Cb 0.31 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3kw0 h VAL 35 CO -0.23 0.18 0.24 0.28 0.02 0.00 0.00 177.57 178.06 3kw0 h SER 36 N 0.96 0.39 -0.33 0.57 0.02 -1.61 -1.70 113.55 111.86 3kw0 h SER 36 Ca 0.32 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3kw0 h SER 36 Cb 0.08 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kw0 h SER 36 CO -0.10 0.28 -0.11 0.11 -1.14 0.00 0.00 176.83 175.87 3kw0 h LYS 37 N 0.48 0.76 -0.63 3.45 1.57 -0.20 0.15 116.57 122.15 3kw0 h LYS 37 Ca 0.16 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kw0 h LYS 37 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3kw0 h LYS 37 CO -0.08 0.84 0.27 1.25 -0.57 0.00 0.00 179.45 181.16 3kw0 h LEU 38 N 0.69 0.86 -0.61 2.94 5.85 -0.94 0.79 115.31 124.88 3kw0 h LEU 38 Ca 0.12 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3kw0 h LEU 38 Cb 0.58 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kw0 h LEU 38 CO 0.04 0.78 0.32 0.40 -0.34 0.00 0.00 178.44 179.64 3kw0 h ILE 39 N 0.88 1.20 -0.34 4.05 2.04 -0.63 -1.66 117.51 123.05 3kw0 h ILE 39 Ca 0.21 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 3kw0 h ILE 39 Cb 0.18 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3kw0 h ILE 39 CO -0.02 0.23 -0.18 0.11 0.00 0.00 0.00 178.15 178.29 3kw0 h LYS 40 N 0.83 0.64 0.55 2.37 1.57 -0.11 -2.21 116.57 120.20 3kw0 h LYS 40 Ca 0.21 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3kw0 h LYS 40 Cb 0.07 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3kw0 h LYS 40 CO -0.03 0.78 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.15 3kw0 h LYS 41 N 0.57 -0.71 0.00 3.15 3.64 -0.69 0.24 116.57 122.77 3kw0 h LYS 41 Ca 0.09 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3kw0 h LYS 41 Cb 0.63 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3kw0 h LYS 41 CO 0.04 -0.46 -0.05 0.28 -2.27 0.00 0.00 179.45 177.00 3kw0 h VAL 42 N -1.18 0.80 -0.02 2.00 2.07 -1.33 -1.67 116.25 116.92 3kw0 h VAL 42 Ca -0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kw0 h VAL 42 Cb 0.58 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3kw0 h VAL 42 CO 0.12 0.05 -0.16 -1.54 0.02 0.00 0.00 177.57 176.06 3kw0 n SER 43 N -4.14 2.43 -3.69 0.57 3.41 -0.83 -5.01 113.62 106.36 3kw0 n SER 43 Ca -0.03 -1.72 -0.30 0.00 -0.26 0.00 0.00 58.87 56.57 3kw0 n SER 43 Cb 0.13 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3kw0 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kw0 n GLU 44 N 0.72 -1.13 0.00 4.33 1.02 -0.01 -4.94 120.64 120.62 3kw0 n GLU 44 Ca 0.11 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3kw0 n GLU 44 Cb 0.49 -3.79 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 3kw0 n GLU 44 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kw0 n SER 45 N -2.51 2.35 -0.67 1.62 2.88 -0.69 -5.05 113.62 111.57 3kw0 n SER 45 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3kw0 n SER 45 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3kw0 n SER 45 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3kw0 n PHE 47 N 0.00 0.00 0.30 0.66 3.72 -1.26 -4.59 117.46 116.29 3kw0 n PHE 47 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3kw0 n PHE 47 Cb 0.00 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.21 3kw0 n PHE 47 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kw0 n SER 48 N 0.90 1.14 -3.74 4.37 3.41 0.02 -4.45 113.62 115.27 3kw0 n SER 48 Ca 0.00 -0.37 -0.14 0.00 -0.26 0.00 0.00 58.87 58.11 3kw0 n SER 48 Cb 0.00 1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 65.26 3kw0 n SER 48 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kw0 s HIS 49 N -2.79 -0.30 0.15 7.33 5.65 -1.04 -4.89 115.29 119.40 3kw0 s HIS 49 Ca -0.01 0.60 -0.01 0.00 0.25 0.00 0.00 55.06 55.89 3kw0 s HIS 49 Cb 0.10 0.13 -0.04 0.00 -1.18 0.00 0.00 32.58 31.60 3kw0 s HIS 49 CO 0.63 -0.34 0.06 -0.08 -0.65 0.00 0.00 174.74 174.36 3kw0 s THR 50 N -0.77 0.16 0.06 0.89 -1.32 -1.26 -0.88 115.64 112.53 3kw0 s THR 50 Ca -0.09 -1.93 -0.27 0.00 -1.21 0.00 0.00 61.69 58.19 3kw0 s THR 50 Cb -0.04 -2.13 0.10 0.00 -1.51 0.00 0.00 72.50 68.92 3kw0 s THR 50 CO 0.03 -0.39 1.17 -0.83 -2.21 0.00 0.00 174.62 172.39 3kw0 s GLY 51 N -3.08 -0.23 -0.11 6.08 0.00 -0.62 -4.72 107.32 104.63 3kw0 s GLY 51 Ca 0.26 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.26 3kw0 s GLY 51 CO 0.04 1.40 -0.15 -0.42 0.00 0.00 0.00 173.10 173.96 3kw0 s ILE 52 N -2.52 2.91 0.14 0.90 1.01 -1.26 0.01 121.20 122.39 3kw0 s ILE 52 Ca 0.18 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 3kw0 s ILE 52 Cb 0.01 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 3kw0 s ILE 52 CO -0.00 0.54 0.87 -0.63 0.00 0.00 0.00 174.94 175.72 3kw0 s ILE 53 N 0.18 4.42 -0.11 2.92 -1.09 0.39 -4.45 121.20 123.45 3kw0 s ILE 53 Ca -0.09 1.90 -0.01 0.00 -2.23 0.00 0.00 60.65 60.22 3kw0 s ILE 53 Cb -0.15 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 3kw0 s ILE 53 CO 0.05 0.42 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.45 3kw0 s VAL 54 N -0.55 0.77 -0.45 2.92 1.01 0.21 -0.47 120.40 123.83 3kw0 s VAL 54 Ca 0.41 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 3kw0 s VAL 54 Cb -0.23 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3kw0 s VAL 54 CO 0.28 0.25 0.70 -0.54 0.00 0.00 0.00 175.10 175.80 3kw0 s LYS 55 N 1.81 3.31 -0.73 2.72 -0.14 -1.26 -0.68 119.74 124.76 3kw0 s LYS 55 Ca 0.04 -0.33 -0.21 0.00 -1.36 0.00 0.00 55.97 54.11 3kw0 s LYS 55 Cb -0.13 -3.97 0.09 0.00 -1.68 0.00 0.00 37.83 32.15 3kw0 s LYS 55 CO -0.07 -1.09 0.98 1.67 -0.76 0.00 0.00 175.35 176.08 3kw0 s TRP 56 N 3.02 2.86 0.00 3.18 -2.14 0.14 -4.88 118.94 121.11 3kw0 s TRP 56 Ca 0.25 -0.87 0.00 0.00 2.66 0.00 0.00 56.10 58.13 3kw0 s TRP 56 Cb -0.14 -4.25 0.00 0.00 -3.10 0.00 0.00 33.47 25.98 3kw0 s TRP 56 CO 0.20 -1.55 0.00 0.41 -2.66 0.00 0.00 176.95 173.34 3kw0 n GLY 57 N 5.38 2.34 0.05 3.67 0.00 -1.26 -0.18 105.19 115.18 3kw0 n GLY 57 Ca 0.04 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.42 3kw0 n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kw0 n GLU 58 N 4.86 0.28 -3.27 1.61 2.13 -1.26 -4.96 120.64 120.03 3kw0 n GLU 58 Ca 0.00 0.04 -0.34 0.00 0.66 0.00 0.00 57.16 57.52 3kw0 n GLU 58 Cb 0.00 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 3kw0 n GLU 58 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3kw0 s HIS 59 N -3.17 3.54 -0.25 4.31 3.76 0.75 -5.01 115.29 119.22 3kw0 s HIS 59 Ca 0.05 1.13 -0.03 0.00 -0.15 0.00 0.00 55.06 56.06 3kw0 s HIS 59 Cb 0.14 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.41 3kw0 s HIS 59 CO 0.76 0.32 -0.04 0.99 -0.85 0.00 0.00 174.74 175.91 3kw0 s THR 60 N -1.64 3.16 0.24 1.30 2.01 -1.26 0.24 115.64 119.69 3kw0 s THR 60 Ca 0.44 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.71 3kw0 s THR 60 Cb -0.14 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3kw0 s THR 60 CO 0.20 0.26 0.03 -0.76 -0.69 0.00 0.00 174.62 173.66 3kw0 s LEU 61 N 1.40 3.33 0.00 4.42 1.43 0.15 -1.57 118.68 127.84 3kw0 s LEU 61 Ca 0.02 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3kw0 s LEU 61 Cb -0.16 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3kw0 s LEU 61 CO -0.03 0.01 0.03 0.00 0.23 0.00 0.00 176.35 176.59 3kw0 n ILE 62 N -0.77 0.00 0.00 -0.59 0.13 0.86 -0.62 119.36 118.37 3kw0 n ILE 62 Ca -0.07 -1.37 0.00 0.00 -1.10 0.00 0.00 62.75 60.21 3kw0 n ILE 62 Cb 0.58 0.34 0.00 0.00 -0.84 0.00 0.00 39.64 39.72 3kw0 n ILE 62 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3kw0 n GLU 64 N -0.66 0.00 -3.61 9.51 0.28 -0.47 -1.50 120.64 124.18 3kw0 n GLU 64 Ca -0.09 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.52 3kw0 n GLU 64 Cb 0.36 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.12 3kw0 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3kw0 s SER 65 N 0.00 5.80 -0.24 -1.84 0.15 -1.26 -0.93 113.70 115.38 3kw0 s SER 65 Ca 0.00 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.32 3kw0 s SER 65 Cb 0.00 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 3kw0 s SER 65 CO 0.00 -0.13 0.06 -0.69 1.20 0.00 0.00 173.24 173.68 3kw0 s VAL 66 N 1.70 4.28 0.36 4.45 1.01 -0.48 -3.77 120.40 127.94 3kw0 s VAL 66 Ca 0.06 -0.19 0.22 0.00 0.00 0.00 0.00 61.98 62.08 3kw0 s VAL 66 Cb -0.16 -2.99 0.23 0.00 0.00 0.00 0.00 36.38 33.45 3kw0 s VAL 66 CO 0.09 0.36 1.96 -0.33 0.00 0.00 0.00 175.10 177.18 3kw0 h GLU 67 N 8.06 0.00 -0.66 2.72 3.07 -1.86 -0.02 114.58 125.90 3kw0 h GLU 67 Ca -0.38 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.44 3kw0 h GLU 67 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 3kw0 h GLU 67 CO 0.59 0.21 0.06 -0.40 -1.40 0.00 0.00 179.01 178.06 3kw0 n ASP 68 N -3.75 5.17 0.00 1.42 5.75 -1.26 -4.67 116.55 119.22 3kw0 n ASP 68 Ca -0.02 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.86 3kw0 n ASP 68 Cb 0.32 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3kw0 n ASP 68 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3kw0 n ASP 69 N 0.42 0.00 0.00 -1.12 -0.08 -0.27 -5.00 116.55 110.50 3kw0 n ASP 69 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 3kw0 n ASP 69 Cb 1.16 0.04 0.00 0.00 2.34 0.00 0.00 41.12 44.65 3kw0 n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kw0 n GLY 70 N 0.40 -0.35 3.52 0.27 0.00 -0.18 0.31 105.19 109.16 3kw0 n GLY 70 Ca 0.00 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 3kw0 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kw0 s VAL 71 N -2.00 4.00 0.28 1.61 1.01 -1.26 -1.38 120.40 122.66 3kw0 s VAL 71 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3kw0 s VAL 71 Cb 0.00 -4.80 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 3kw0 s VAL 71 CO 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 175.10 173.43 3kw0 s ARG 72 N 4.97 1.53 -0.11 2.72 1.70 -0.10 -1.86 118.95 127.79 3kw0 s ARG 72 Ca 0.31 -1.78 0.02 0.00 -0.47 0.00 0.00 55.73 53.80 3kw0 s ARG 72 Cb -0.11 -1.05 0.01 0.00 -0.57 0.00 0.00 34.95 33.22 3kw0 s ARG 72 CO 0.14 -0.00 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.68 3kw0 s ILE 73 N -3.09 1.67 0.15 4.99 2.07 -1.26 -1.37 121.20 124.35 3kw0 s ILE 73 Ca 0.30 -0.75 -0.07 0.00 -1.41 0.00 0.00 60.65 58.71 3kw0 s ILE 73 Cb 0.05 -1.50 -0.01 0.00 0.13 0.00 0.00 42.46 41.12 3kw0 s ILE 73 CO 0.12 0.47 0.23 0.68 -1.91 0.00 0.00 174.94 174.53 3kw0 s VAL 74 N 0.86 0.08 0.26 4.00 -7.23 -0.56 -4.97 120.40 112.83 3kw0 s VAL 74 Ca -0.08 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3kw0 s VAL 74 Cb -0.15 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 3kw0 s VAL 74 CO -0.00 -0.36 1.30 -2.84 -0.31 0.00 0.00 175.10 172.89 3kw0 s PRO 75 N -3.98 4.39 0.40 4.82 0.02 -1.26 -0.10 135.00 139.29 3kw0 s PRO 75 Ca 0.18 2.11 0.12 0.00 0.02 0.00 0.00 61.00 63.43 3kw0 s PRO 75 Cb 0.04 -3.14 0.94 0.00 0.02 0.00 0.00 34.50 32.36 3kw0 s PRO 75 CO -0.00 -0.20 1.91 1.25 -0.33 0.00 0.00 177.00 179.62 3kw0 h LEU 76 N 4.50 0.50 -1.75 -5.54 5.85 -1.57 -1.42 115.31 115.87 3kw0 h LEU 76 Ca -0.46 0.03 0.40 0.00 0.84 0.00 0.00 57.88 58.68 3kw0 h LEU 76 Cb 1.22 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 3kw0 h LEU 76 CO 0.72 0.27 0.93 -0.33 -0.34 0.00 0.00 178.44 179.69 3kw0 h GLU 77 N 0.54 0.09 -0.94 1.25 3.07 -1.90 0.95 114.58 117.64 3kw0 h GLU 77 Ca 0.39 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.25 3kw0 h GLU 77 Cb 0.74 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.58 3kw0 h GLU 77 CO -0.14 0.06 0.62 0.45 -1.40 0.00 0.00 179.01 178.59 3kw0 h HIS 78 N 0.09 1.19 0.00 4.33 3.86 -1.52 -1.08 115.15 122.02 3kw0 h HIS 78 Ca 0.70 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.91 3kw0 h HIS 78 Cb 2.50 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 30.56 3kw0 h HIS 78 CO -0.00 0.75 -0.14 1.88 0.86 0.00 0.00 177.93 181.28 3kw0 h TYR 79 N 1.28 0.00 0.11 2.45 -1.99 -0.99 -0.12 116.97 117.71 3kw0 h TYR 79 Ca 0.34 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.75 3kw0 h TYR 79 Cb -0.14 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 3kw0 h TYR 79 CO -0.00 0.14 -1.74 0.82 -0.00 0.00 0.00 178.16 177.38 3kw0 h ILE 80 N 0.00 0.90 0.00 -2.88 1.08 -1.39 -0.45 117.51 114.77 3kw0 h ILE 80 Ca -0.00 -2.60 0.00 0.00 -0.39 0.00 0.00 64.86 61.87 3kw0 h ILE 80 Cb 0.32 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 3kw0 h ILE 80 CO 0.02 0.79 -0.91 0.29 -0.69 0.00 0.00 178.15 177.65 3kw0 n LYS 81 N -3.40 3.40 -2.92 2.37 4.01 -0.48 -3.95 118.16 117.20 3kw0 n LYS 81 Ca -0.22 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.46 3kw0 n LYS 81 Cb 1.05 -0.96 -0.01 0.00 -0.51 0.00 0.00 35.03 34.61 3kw0 n LYS 81 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3kw0 n ASN 82 N -1.83 -2.39 -4.67 4.39 5.15 -0.20 -2.44 115.26 113.27 3kw0 n ASN 82 Ca 0.00 -2.91 -0.43 0.00 -0.60 0.00 0.00 54.58 50.65 3kw0 n ASN 82 Cb 0.42 1.11 -0.02 0.00 -0.53 0.00 0.00 39.78 40.76 3kw0 n ASN 82 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3kw0 s TYR 83 N 0.45 3.35 -1.34 1.20 5.04 0.53 -4.13 117.35 122.45 3kw0 s TYR 83 Ca 0.32 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.31 3kw0 s TYR 83 Cb 0.09 -3.27 0.01 0.00 0.35 0.00 0.00 41.96 39.14 3kw0 s TYR 83 CO -0.14 -0.52 0.47 -1.91 -1.34 0.00 0.00 175.55 172.10 3kw0 n GLU 84 N 5.89 -1.88 -1.52 4.97 2.13 -1.26 -1.46 120.64 127.52 3kw0 n GLU 84 Ca 0.11 0.30 -0.18 0.00 0.66 0.00 0.00 57.16 58.05 3kw0 n GLU 84 Cb 0.47 -3.92 -0.08 0.00 0.27 0.00 0.00 31.44 28.18 3kw0 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kw0 n ASN 85 N -2.76 -5.23 0.01 4.31 3.02 -1.26 -4.88 115.26 108.47 3kw0 n ASN 85 Ca -0.23 0.44 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3kw0 n ASN 85 Cb 0.65 -4.30 0.26 0.00 -0.61 0.00 0.00 39.78 35.77 3kw0 n ASN 85 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kw0 n SER 86 N -0.97 0.50 -1.80 6.41 3.41 -0.53 -4.95 113.62 115.69 3kw0 n SER 86 Ca -0.18 -0.16 -0.19 0.00 -0.26 0.00 0.00 58.87 58.08 3kw0 n SER 86 Cb 0.60 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 3kw0 n SER 86 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kw0 n ASN 87 N -1.58 -5.10 -4.14 4.04 3.02 -1.26 -4.91 115.26 105.32 3kw0 n ASN 87 Ca 0.05 0.34 -0.09 0.00 -0.03 0.00 0.00 54.58 54.85 3kw0 n ASN 87 Cb 0.35 -4.46 -0.10 0.00 -0.61 0.00 0.00 39.78 34.96 3kw0 n ASN 87 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kw0 s ASN 88 N -2.44 0.57 0.63 6.41 0.01 -1.02 -4.70 114.94 114.40 3kw0 s ASN 88 Ca 0.00 -1.12 -0.18 0.00 -0.71 0.00 0.00 52.86 50.85 3kw0 s ASN 88 Cb 0.00 0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.86 3kw0 s ASN 88 CO 0.00 -0.64 1.24 -0.60 -1.51 0.00 0.00 177.10 175.58 3kw0 s ARG 89 N -3.97 2.72 0.12 -0.60 3.52 -1.25 -0.35 118.95 119.14 3kw0 s ARG 89 Ca 0.17 1.89 -0.35 0.00 -0.13 0.00 0.00 55.73 57.32 3kw0 s ARG 89 Cb 0.07 -1.89 -0.15 0.00 -1.56 0.00 0.00 34.95 31.42 3kw0 s ARG 89 CO -0.02 -1.42 1.48 0.98 -0.81 0.00 0.00 175.30 175.51 3kw0 n TYR 90 N -1.85 1.94 -2.42 5.12 9.36 -0.18 -4.74 117.16 124.38 3kw0 n TYR 90 Ca 0.14 0.43 -0.38 0.00 3.32 0.00 0.00 57.90 61.42 3kw0 n TYR 90 Cb 0.49 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 36.72 3kw0 n TYR 90 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kw0 s ASN 91 N 0.79 6.20 0.00 2.98 2.47 -1.26 -4.78 114.94 121.34 3kw0 s ASN 91 Ca 0.82 -1.65 0.00 0.00 0.42 0.00 0.00 52.86 52.45 3kw0 s ASN 91 Cb -0.80 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 36.42 3kw0 s ASN 91 CO 0.42 -1.81 0.00 0.61 -3.72 0.00 0.00 177.10 172.61 3kw0 n GLY 92 N 6.31 -1.80 3.68 1.21 0.00 -1.26 -1.42 105.19 111.92 3kw0 n GLY 92 Ca 0.40 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3kw0 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kw0 s SER 93 N -2.90 4.82 -0.01 1.61 1.04 -0.63 -4.93 113.70 112.70 3kw0 s SER 93 Ca 0.00 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3kw0 s SER 93 Cb 0.00 -1.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.09 3kw0 s SER 93 CO 0.00 0.04 -0.11 -0.76 0.98 0.00 0.00 173.24 173.38 3kw0 s LEU 94 N -3.35 2.00 0.06 2.42 1.43 -1.26 -1.31 118.68 118.66 3kw0 s LEU 94 Ca 0.30 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3kw0 s LEU 94 Cb -0.08 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 3kw0 s LEU 94 CO 0.20 0.13 -0.04 -0.36 0.23 0.00 0.00 176.35 176.51 3kw0 s PHE 95 N -0.21 0.62 -0.03 0.29 0.40 0.45 -1.28 117.98 118.22 3kw0 s PHE 95 Ca 0.03 -0.94 0.06 0.00 -0.60 0.00 0.00 56.93 55.48 3kw0 s PHE 95 Cb -0.05 -0.41 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 3kw0 s PHE 95 CO -0.00 -0.28 -0.20 0.42 0.70 0.00 0.00 175.22 175.86 3kw0 s ILE 96 N -3.48 1.66 0.34 0.64 -1.09 0.79 -1.37 121.20 118.70 3kw0 s ILE 96 Ca 0.06 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.64 3kw0 s ILE 96 Cb 0.05 -1.40 -0.05 0.00 -1.58 0.00 0.00 42.46 39.48 3kw0 s ILE 96 CO -0.07 0.47 0.09 0.00 -1.23 0.00 0.00 174.94 174.20 3kw0 s ALA 97 N -0.24 2.45 -0.01 9.38 0.00 -0.38 -0.48 121.76 132.49 3kw0 s ALA 97 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3kw0 s ALA 97 Cb -0.10 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3kw0 s ALA 97 CO 0.01 -0.34 0.01 0.50 0.00 0.00 0.00 175.76 175.94 3kw0 s ARG 98 N -3.85 0.01 0.22 0.00 3.52 -0.20 -1.05 118.95 117.60 3kw0 s ARG 98 Ca 0.32 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 3kw0 s ARG 98 Cb 0.06 -0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.25 3kw0 s ARG 98 CO 0.15 -0.06 0.97 -1.58 -0.81 0.00 0.00 175.30 173.97 3kw0 s HIS 99 N 0.42 3.89 0.20 5.12 5.65 -1.26 -1.19 115.29 128.11 3kw0 s HIS 99 Ca -0.04 1.86 -0.11 0.00 0.25 0.00 0.00 55.06 57.02 3kw0 s HIS 99 Cb -0.05 -3.04 0.23 0.00 -1.18 0.00 0.00 32.58 28.53 3kw0 s HIS 99 CO -0.01 0.24 1.74 1.49 -0.65 0.00 0.00 174.74 177.56 3kw0 h GLU 100 N 4.35 0.37 -0.53 2.88 4.81 -0.95 -2.35 114.58 123.17 3kw0 h GLU 100 Ca -0.45 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3kw0 h GLU 100 Cb 1.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3kw0 h GLU 100 CO 0.69 0.24 0.35 -0.07 -0.73 0.00 0.00 179.01 179.49 3kw0 h LEU 101 N 0.38 0.51 -1.70 1.64 3.38 -1.92 -2.13 115.31 115.47 3kw0 h LEU 101 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kw0 h LEU 101 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kw0 h LEU 101 CO -0.28 0.35 0.00 0.18 0.09 0.00 0.00 178.44 178.78 3kw0 n LEU 102 N -4.47 2.48 0.07 1.67 4.77 -0.89 -4.31 117.00 116.31 3kw0 n LEU 102 Ca 0.06 -1.22 -0.07 0.00 -0.03 0.00 0.00 56.01 54.75 3kw0 n LEU 102 Cb 0.15 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3kw0 n LEU 102 CO 0.35 0.61 0.40 0.06 -1.33 0.00 0.00 177.39 177.48 3kw0 h GLN 103 N 2.75 0.29 -1.36 3.23 3.07 -1.29 -3.27 115.11 118.53 3kw0 h GLN 103 Ca 0.00 -0.23 -0.66 0.00 0.09 0.00 0.00 58.65 57.85 3kw0 h GLN 103 Cb 0.63 0.04 -0.34 0.00 0.08 0.00 0.00 27.48 27.89 3kw0 h GLN 103 CO 0.00 0.87 0.27 0.09 0.09 0.00 0.00 178.83 180.15 3kw0 n ASN 104 N -3.83 6.50 -3.76 0.06 5.03 -1.26 -4.92 115.26 113.08 3kw0 n ASN 104 Ca -0.03 -3.78 -0.18 0.00 0.87 0.00 0.00 54.58 51.45 3kw0 n ASN 104 Cb 0.68 -0.77 -0.17 0.00 -1.02 0.00 0.00 39.78 38.49 3kw0 n ASN 104 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kw0 s VAL 105 N -5.00 0.08 0.57 2.41 1.01 -1.24 -5.15 120.40 113.08 3kw0 s VAL 105 Ca 0.55 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 3kw0 s VAL 105 Cb 0.45 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.54 3kw0 s VAL 105 CO -0.16 0.16 1.02 0.54 0.00 0.00 0.00 175.10 176.66 3kw0 s ASN 106 N 1.46 6.20 0.55 3.32 4.22 -1.26 -4.95 114.94 124.48 3kw0 s ASN 106 Ca -0.04 1.64 0.32 0.00 -2.14 0.00 0.00 52.86 52.65 3kw0 s ASN 106 Cb -0.13 -2.51 1.75 0.00 1.28 0.00 0.00 41.25 41.64 3kw0 s ASN 106 CO -0.03 -0.88 1.97 -2.24 -2.04 0.00 0.00 177.10 173.88 3kw0 h ASP 107 N 0.49 0.00 -0.20 3.54 2.03 -1.98 0.13 116.42 120.43 3kw0 h ASP 107 Ca -0.46 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.74 3kw0 h ASP 107 Cb 1.20 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.64 3kw0 h ASP 107 CO 0.60 0.00 -0.20 -0.90 -1.03 0.00 0.00 179.24 177.70 3kw0 n ASP 108 N -2.72 2.32 -4.53 4.15 5.75 -1.26 -4.77 116.55 115.48 3kw0 n ASP 108 Ca -0.02 -3.71 -0.29 0.00 -0.01 0.00 0.00 54.79 50.76 3kw0 n ASP 108 Cb 0.17 -0.58 0.23 0.00 -1.03 0.00 0.00 41.12 39.91 3kw0 n ASP 108 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3kw0 s SER 109 N -2.75 1.39 0.00 -1.12 0.15 0.45 -4.89 113.70 106.93 3kw0 s SER 109 Ca 0.41 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.71 3kw0 s SER 109 Cb 0.38 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 3kw0 s SER 109 CO -0.02 -3.97 0.64 1.21 1.20 0.00 0.00 173.24 172.31 3kw0 n GLU 110 N -4.77 0.61 0.00 5.44 4.07 -1.26 -2.34 120.64 122.38 3kw0 n GLU 110 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 3kw0 n GLU 110 Cb 0.54 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 3kw0 n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3kw0 n ILE 112 N 0.75 0.00 -0.09 6.31 2.08 -1.26 -0.77 119.36 126.39 3kw0 n ILE 112 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 3kw0 n ILE 112 Cb 0.30 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.19 3kw0 n ILE 112 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3kw0 h ARG 113 N 0.00 0.28 -0.09 0.38 -0.00 -1.77 -1.91 114.38 111.28 3kw0 h ARG 113 Ca 0.00 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.98 59.31 3kw0 h ARG 113 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 29.90 3kw0 h ARG 113 CO 0.00 0.18 -0.62 -0.91 0.00 0.00 0.00 179.97 178.63 3kw0 h ASN 114 N 0.28 0.35 -0.14 7.04 2.35 -1.25 -1.02 115.58 123.20 3kw0 h ASN 114 Ca 0.13 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3kw0 h ASN 114 Cb 0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kw0 h ASN 114 CO -0.11 0.88 0.08 0.25 -1.65 0.00 0.00 177.43 176.88 3kw0 h LEU 115 N 0.23 0.17 -0.68 1.61 5.85 -1.78 -2.15 115.31 118.55 3kw0 h LEU 115 Ca -0.01 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3kw0 h LEU 115 Cb 1.14 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3kw0 h LEU 115 CO 0.10 0.18 0.08 0.40 -0.34 0.00 0.00 178.44 178.85 3kw0 h ILE 116 N 0.14 1.26 -0.43 4.05 5.03 -1.31 -2.54 117.51 123.71 3kw0 h ILE 116 Ca 0.05 -1.07 0.08 0.00 -0.12 0.00 0.00 64.86 63.80 3kw0 h ILE 116 Cb 0.04 0.68 -0.07 0.00 -3.03 0.00 0.00 36.82 34.44 3kw0 h ILE 116 CO -0.01 0.40 0.01 0.50 -0.68 0.00 0.00 178.15 178.37 3kw0 h LYS 117 N 1.02 0.12 -0.38 2.37 3.64 -1.05 0.55 116.57 122.84 3kw0 h LYS 117 Ca 0.19 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3kw0 h LYS 117 Cb 0.48 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3kw0 h LYS 117 CO 0.02 0.08 -0.11 0.28 -2.27 0.00 0.00 179.45 177.45 3kw0 h VAL 118 N 0.12 1.28 -0.40 2.00 2.07 -1.22 0.10 116.25 120.20 3kw0 h VAL 118 Ca 0.22 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3kw0 h VAL 118 Cb 0.31 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3kw0 h VAL 118 CO -0.35 0.40 0.17 1.23 0.02 0.00 0.00 177.57 179.04 3kw0 h GLY 119 N 0.54 0.63 0.91 2.17 0.00 -1.29 -2.09 103.07 103.93 3kw0 h GLY 119 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3kw0 h GLY 119 CO 0.04 0.31 0.64 0.74 0.00 0.00 0.00 176.54 178.27 3kw0 h PHE 120 N 0.50 1.20 0.00 5.60 0.04 -0.75 -2.05 116.94 121.47 3kw0 h PHE 120 Ca 0.13 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3kw0 h PHE 120 Cb 0.16 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 3kw0 h PHE 120 CO -0.01 0.69 -0.04 0.66 -0.60 0.00 0.00 178.31 179.01 3kw0 h SER 121 N 1.24 0.00 -0.02 2.17 4.64 -0.30 -2.67 113.55 118.60 3kw0 h SER 121 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3kw0 h SER 121 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kw0 h SER 121 CO -0.12 0.04 -0.30 0.18 -0.87 0.00 0.00 176.83 175.76 3kw0 n LEU 122 N -3.38 2.40 -4.75 5.97 4.77 -0.79 -4.94 117.00 116.28 3kw0 n LEU 122 Ca -0.02 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.70 3kw0 n LEU 122 Cb 0.17 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3kw0 n LEU 122 CO 0.26 0.43 1.13 -0.76 -1.33 0.00 0.00 177.39 177.11 3kw0 s LEU 123 N -2.30 4.37 0.00 2.23 1.43 -1.01 -4.77 118.68 118.63 3kw0 s LEU 123 Ca 0.22 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 3kw0 s LEU 123 Cb 0.19 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 3kw0 s LEU 123 CO 0.47 -0.75 0.01 -0.46 0.23 0.00 0.00 176.35 175.85 3kw0 n ASN 124 N 1.98 1.89 -2.20 2.29 0.23 -0.78 -5.03 115.26 113.64 3kw0 n ASN 124 Ca 0.06 -1.52 -0.30 0.00 -0.53 0.00 0.00 54.58 52.28 3kw0 n ASN 124 Cb 0.40 0.14 0.05 0.00 -2.08 0.00 0.00 39.78 38.29 3kw0 n ASN 124 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3kw0 n SER 125 N -1.36 6.48 0.00 0.53 7.64 -1.26 -4.76 113.62 120.89 3kw0 n SER 125 Ca -0.04 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.07 3kw0 n SER 125 Cb 0.15 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3kw0 n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kw0 n GLY 126 N -0.82 1.87 3.84 0.23 0.00 -1.26 -5.01 105.19 104.03 3kw0 n GLY 126 Ca 0.55 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3kw0 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kw0 s TYR 127 N -2.38 3.56 0.78 1.61 2.02 0.15 -4.90 117.35 118.18 3kw0 s TYR 127 Ca 0.00 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 57.75 3kw0 s TYR 127 Cb 0.00 -2.46 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 3kw0 s TYR 127 CO 0.00 0.33 1.15 0.16 -1.57 0.00 0.00 175.55 175.62 3kw0 s ASP 128 N -1.85 4.80 0.21 2.29 1.47 -1.26 -4.85 116.67 117.48 3kw0 s ASP 128 Ca 0.43 0.91 -0.09 0.00 1.18 0.00 0.00 52.55 54.97 3kw0 s ASP 128 Cb -0.14 -1.51 0.26 0.00 -0.34 0.00 0.00 42.92 41.19 3kw0 s ASP 128 CO 0.20 -1.73 1.78 0.11 0.68 0.00 0.00 175.17 176.20 3kw0 h LYS 129 N -0.93 0.52 -0.77 2.11 1.57 -2.00 -1.75 116.57 115.32 3kw0 h LYS 129 Ca -0.46 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.35 3kw0 h LYS 129 Cb 1.30 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3kw0 h LYS 129 CO 0.65 0.35 0.46 -0.97 -0.57 0.00 0.00 179.45 179.37 3kw0 h ASN 130 N 0.54 0.72 0.17 0.86 -1.24 -2.00 -2.58 115.58 112.06 3kw0 h ASN 130 Ca 0.30 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.18 3kw0 h ASN 130 Cb 0.29 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3kw0 h ASN 130 CO -0.24 0.47 -0.57 -0.33 -1.29 0.00 0.00 177.43 175.47 3kw0 h GLU 131 N 0.86 0.41 0.40 6.67 5.08 -1.71 -1.59 114.58 124.70 3kw0 h GLU 131 Ca 0.33 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3kw0 h GLU 131 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kw0 h GLU 131 CO -0.17 0.87 -0.19 0.82 -1.00 0.00 0.00 179.01 179.34 3kw0 h ILE 132 N 0.31 0.59 -0.73 3.13 2.04 -1.11 0.24 117.51 121.98 3kw0 h ILE 132 Ca 0.00 -0.32 0.16 0.00 1.00 0.00 0.00 64.86 65.70 3kw0 h ILE 132 Cb 1.09 0.75 -0.11 0.00 -0.74 0.00 0.00 36.82 37.81 3kw0 h ILE 132 CO 0.10 0.06 0.19 0.00 0.00 0.00 0.00 178.15 178.49 3kw0 h ALA 133 N -0.22 0.96 -0.52 1.87 0.00 -1.49 -0.05 119.26 119.81 3kw0 h ALA 133 Ca -0.06 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kw0 h ALA 133 Cb 0.51 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kw0 h ALA 133 CO 0.09 -0.33 0.24 1.96 0.00 0.00 0.00 179.25 181.21 3kw0 h GLN 134 N 0.28 0.76 -0.07 0.00 4.20 -1.04 -0.62 115.11 118.62 3kw0 h GLN 134 Ca 0.41 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 3kw0 h GLN 134 Cb 0.70 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3kw0 h GLN 134 CO -0.50 0.63 0.03 0.82 -0.67 0.00 0.00 178.83 179.15 3kw0 h ILE 135 N 0.70 1.12 -0.54 2.54 2.04 0.75 -0.63 117.51 123.49 3kw0 h ILE 135 Ca 0.18 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3kw0 h ILE 135 Cb 0.13 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3kw0 h ILE 135 CO -0.02 0.11 0.01 0.58 0.00 0.00 0.00 178.15 178.82 3kw0 h VAL 136 N -0.02 1.25 -0.62 1.67 2.07 -1.03 -1.94 116.25 117.63 3kw0 h VAL 136 Ca 0.03 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3kw0 h VAL 136 Cb 0.14 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3kw0 h VAL 136 CO -0.00 0.38 0.35 0.00 0.02 0.00 0.00 177.57 178.32 3kw0 h ALA 137 N 1.15 0.79 -0.62 1.67 0.00 -0.94 -2.37 119.26 118.94 3kw0 h ALA 137 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kw0 h ALA 137 Cb 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kw0 h ALA 137 CO 0.02 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.98 3kw0 h ARG 138 N 0.84 0.78 0.32 0.00 3.08 -0.48 0.27 114.38 119.19 3kw0 h ARG 138 Ca 0.22 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3kw0 h ARG 138 Cb 0.02 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3kw0 h ARG 138 CO -0.04 0.51 -0.15 0.82 -1.07 0.00 0.00 179.97 180.04 3kw0 h ILE 139 N 0.80 0.69 -0.63 2.04 2.04 -0.94 -0.25 117.51 121.27 3kw0 h ILE 139 Ca 0.24 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 3kw0 h ILE 139 Cb -0.02 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3kw0 h ILE 139 CO -0.06 0.01 0.26 1.23 0.00 0.00 0.00 178.15 179.59 3kw0 h GLY 140 N -0.46 0.97 1.99 5.37 0.00 -1.08 -2.32 103.07 107.53 3kw0 h GLY 140 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3kw0 h GLY 140 CO 0.07 0.47 -0.01 1.04 0.00 0.00 0.00 176.54 178.11 3kw0 n LEU 141 N -4.32 0.10 -1.68 3.11 4.77 0.05 -4.93 117.00 114.11 3kw0 n LEU 141 Ca 0.05 0.50 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 3kw0 n LEU 141 Cb 0.16 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 3kw0 n LEU 141 CO 0.39 -0.02 -0.20 0.61 -1.33 0.00 0.00 177.39 176.83 3kw0 n GLY 142 N 1.48 1.60 3.77 -0.72 0.00 -0.18 -5.00 105.19 106.14 3kw0 n GLY 142 Ca 0.07 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3kw0 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kw0 s ILE 143 N -2.80 4.41 0.89 -0.61 1.01 -0.77 -4.95 121.20 118.39 3kw0 s ILE 143 Ca 0.00 1.72 -0.10 0.00 0.00 0.00 0.00 60.65 62.27 3kw0 s ILE 143 Cb 0.00 -4.15 0.19 0.00 0.01 0.00 0.00 42.46 38.52 3kw0 s ILE 143 CO 0.00 0.49 1.22 -0.83 0.00 0.00 0.00 174.94 175.82 3kw0 s GLY 144 N -0.95 1.79 0.12 6.18 0.00 -1.26 -4.64 107.32 108.56 3kw0 s GLY 144 Ca 0.37 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.58 3kw0 s GLY 144 CO 0.26 -0.79 0.18 1.09 0.00 0.00 0.00 173.10 173.84 3kw0 s ARG 145 N -5.64 3.16 0.53 2.90 1.70 -1.26 -5.08 118.95 115.25 3kw0 s ARG 145 Ca 0.73 -0.67 -0.22 0.00 -0.47 0.00 0.00 55.73 55.09 3kw0 s ARG 145 Cb -0.03 -2.83 -0.06 0.00 -0.57 0.00 0.00 34.95 31.46 3kw0 s ARG 145 CO 0.50 0.53 1.35 -2.39 -1.08 0.00 0.00 175.30 174.22 3kw0 n HIS 146 N -0.13 2.30 0.27 5.89 -0.00 -1.26 -4.92 115.22 117.38 3kw0 n HIS 146 Ca -0.07 0.44 0.15 0.00 -0.00 0.00 0.00 57.72 58.24 3kw0 n HIS 146 Cb 0.53 -2.37 0.77 0.00 -0.00 0.00 0.00 29.99 28.92 3kw0 n HIS 146 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3kw0 h GLU 147 N 1.57 0.00 0.01 -1.40 4.39 -2.03 -2.47 114.58 114.65 3kw0 h GLU 147 Ca -0.51 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 3kw0 h GLU 147 Cb 1.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3kw0 h GLU 147 CO 0.58 0.00 -0.26 0.38 -1.16 0.00 0.00 179.01 178.55 3kw0 h ASP 148 N 0.00 0.05 -1.62 1.42 -0.00 -2.04 -3.48 116.42 110.75 3kw0 h ASP 148 Ca 0.00 -0.93 -0.71 0.00 -0.00 0.00 0.00 57.03 55.39 3kw0 h ASP 148 Cb 0.14 -0.02 0.03 0.00 -0.00 0.00 0.00 39.33 39.48 3kw0 h ASP 148 CO 0.00 1.11 0.70 -3.20 -0.00 0.00 0.00 179.24 177.85 3kw0 n ASN 149 N -4.53 2.08 -2.13 4.15 5.15 -0.93 -4.92 115.26 114.13 3kw0 n ASN 149 Ca -0.13 1.09 -0.24 0.00 -0.60 0.00 0.00 54.58 54.70 3kw0 n ASN 149 Cb 0.54 -1.17 0.13 0.00 -0.53 0.00 0.00 39.78 38.76 3kw0 n ASN 149 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kw0 n ASN 150 N 4.10 4.83 -4.40 1.20 3.02 -1.26 -4.85 115.26 117.90 3kw0 n ASN 150 Ca 0.23 -3.48 -0.35 0.00 -0.03 0.00 0.00 54.58 50.94 3kw0 n ASN 150 Cb 0.16 -0.86 -0.13 0.00 -0.61 0.00 0.00 39.78 38.34 3kw0 n ASN 150 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kw0 s GLU 151 N -3.05 3.54 -0.09 3.52 2.02 -1.26 -5.03 118.70 118.35 3kw0 s GLU 151 Ca 0.52 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 55.00 3kw0 s GLU 151 Cb 0.43 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3kw0 s GLU 151 CO 0.06 -0.12 -0.18 0.71 0.02 0.00 0.00 175.26 175.75 3kw0 s TYR 152 N 1.35 2.06 0.50 1.61 2.02 -1.26 -4.94 117.35 118.69 3kw0 s TYR 152 Ca 0.04 -0.84 -0.21 0.00 -0.37 0.00 0.00 57.07 55.69 3kw0 s TYR 152 Cb -0.15 -1.43 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 3kw0 s TYR 152 CO 0.01 -0.38 1.16 0.42 -1.57 0.00 0.00 175.55 175.19 3kw0 s ILE 153 N 0.56 3.08 0.22 2.71 1.01 -1.26 -4.75 121.20 122.76 3kw0 s ILE 153 Ca -0.15 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 3kw0 s ILE 153 Cb -0.17 -3.34 0.25 0.00 0.01 0.00 0.00 42.46 39.21 3kw0 s ILE 153 CO 0.05 -0.07 1.60 0.00 0.00 0.00 0.00 174.94 176.52 3kw0 h SER 155 N -0.05 0.00 -0.05 0.00 4.64 -1.85 -2.33 113.55 113.92 3kw0 h SER 155 Ca 0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.56 3kw0 h SER 155 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3kw0 h SER 155 CO -0.74 0.28 -0.18 -0.33 -0.87 0.00 0.00 176.83 174.99 3kw0 h GLU 156 N 0.00 0.42 -0.03 4.77 5.08 -1.02 -0.90 114.58 122.89 3kw0 h GLU 156 Ca -0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3kw0 h GLU 156 Cb 0.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kw0 h GLU 156 CO 0.04 0.59 -0.04 0.35 -1.00 0.00 0.00 179.01 178.95 3kw0 h PHE 157 N 0.38 0.10 -0.67 4.33 3.57 -0.90 -1.23 116.94 122.52 3kw0 h PHE 157 Ca 0.07 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3kw0 h PHE 157 Cb 0.54 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3kw0 h PHE 157 CO 0.02 0.56 0.44 0.28 -2.23 0.00 0.00 178.31 177.38 3kw0 h VAL 158 N -0.39 1.08 -0.19 1.41 2.07 -1.41 -2.18 116.25 116.65 3kw0 h VAL 158 Ca 0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3kw0 h VAL 158 Cb 0.55 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3kw0 h VAL 158 CO 0.01 0.14 -0.24 -1.13 0.02 0.00 0.00 177.57 176.37 3kw0 h ASN 159 N 0.78 0.54 -0.57 0.57 -1.24 -1.09 -2.78 115.58 111.78 3kw0 h ASN 159 Ca 0.27 -0.50 0.06 0.00 0.71 0.00 0.00 56.30 56.84 3kw0 h ASN 159 Cb 0.10 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 38.94 3kw0 h ASN 159 CO -0.08 0.93 0.27 -0.33 -1.29 0.00 0.00 177.43 176.94 3kw0 h GLU 160 N 0.15 0.49 0.17 6.67 4.39 -0.85 0.13 114.58 125.73 3kw0 h GLU 160 Ca 0.02 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3kw0 h GLU 160 Cb 0.80 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3kw0 h GLU 160 CO 0.06 0.32 -0.19 0.00 -1.16 0.00 0.00 179.01 178.04 3kw0 h PHE 162 N -0.40 0.71 -0.57 0.00 -1.00 -1.33 -2.79 116.94 111.56 3kw0 h PHE 162 Ca 0.01 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.74 3kw0 h PHE 162 Cb 0.39 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.70 3kw0 h PHE 162 CO -0.15 0.67 0.31 -0.22 -1.61 0.00 0.00 178.31 177.31 3kw0 h LYS 163 N 0.64 0.58 0.00 1.51 3.64 -0.41 -0.95 116.57 121.58 3kw0 h LYS 163 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3kw0 h LYS 163 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kw0 h LYS 163 CO 0.01 0.39 0.00 1.63 -2.27 0.00 0.00 179.45 179.21 3kw0 n LYS 164 N -4.82 0.86 -0.07 1.90 4.01 -0.74 -1.50 118.16 117.79 3kw0 n LYS 164 Ca 0.06 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.90 3kw0 n LYS 164 Cb 0.13 -1.22 0.08 0.00 -0.51 0.00 0.00 35.03 33.51 3kw0 n LYS 164 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 3kw0 n ILE 165 N -0.72 1.40 0.00 -0.18 -5.35 -0.62 -4.94 119.36 108.96 3kw0 n ILE 165 Ca 0.09 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 3kw0 n ILE 165 Cb 0.04 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3kw0 n ILE 165 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kw0 n GLY 166 N -0.73 2.60 3.59 3.28 0.00 -0.56 -5.05 105.19 108.32 3kw0 n GLY 166 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3kw0 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kw0 s VAL 167 N -2.61 4.42 0.08 1.61 1.01 -0.46 -4.94 120.40 119.51 3kw0 s VAL 167 Ca 0.00 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 3kw0 s VAL 167 Cb 0.00 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 3kw0 s VAL 167 CO 0.00 -0.78 0.42 -1.83 0.00 0.00 0.00 175.10 172.91 3kw0 s GLU 168 N 3.91 3.80 -0.13 2.72 1.03 -1.26 -3.03 118.70 125.74 3kw0 s GLU 168 Ca 0.42 0.24 -0.04 0.00 0.03 0.00 0.00 54.97 55.62 3kw0 s GLU 168 Cb -0.10 -3.00 -0.03 0.00 -0.80 0.00 0.00 34.13 30.20 3kw0 s GLU 168 CO 0.25 0.56 -0.00 -0.06 -1.33 0.00 0.00 175.26 174.67 3kw0 s PHE 169 N -1.39 3.12 -0.78 4.83 0.08 -1.26 -5.08 117.98 117.50 3kw0 s PHE 169 Ca 0.33 -0.03 -0.23 0.00 0.12 0.00 0.00 56.93 57.12 3kw0 s PHE 169 Cb -0.14 -1.91 -0.17 0.00 -0.57 0.00 0.00 43.02 40.23 3kw0 s PHE 169 CO 0.18 0.21 1.90 1.47 -0.10 0.00 0.00 175.22 178.87 3kw0 n LEU 170 N 2.96 3.52 0.00 -0.37 -0.00 -1.26 -5.09 117.00 116.76 3kw0 n LEU 170 Ca -0.18 -2.80 0.00 0.00 -0.00 0.00 0.00 56.01 53.03 3kw0 n LEU 170 Cb 0.53 -1.19 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 3kw0 n LEU 170 CO 0.31 -0.88 0.00 0.33 -0.00 0.00 0.00 177.39 177.15 3kw0 n PHE 176 N 9.24 0.00 -3.66 1.47 7.35 -1.26 -4.86 117.46 125.74 3kw0 n PHE 176 Ca 0.48 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 57.11 3kw0 n PHE 176 Cb 0.42 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.17 3kw0 n PHE 176 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 3kw0 s ILE 177 N 0.00 -0.68 0.38 -2.13 2.07 -1.26 -5.10 121.20 114.49 3kw0 s ILE 177 Ca 0.00 0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.42 3kw0 s ILE 177 Cb 0.00 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.80 3kw0 s ILE 177 CO 0.00 0.05 0.41 -0.36 -1.91 0.00 0.00 174.94 173.12 3kw0 s PHE 178 N 2.56 2.84 0.31 3.50 0.08 -1.26 -4.13 117.98 121.89 3kw0 s PHE 178 Ca -0.04 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.70 3kw0 s PHE 178 Cb -0.11 -2.08 0.80 0.00 -0.57 0.00 0.00 43.02 41.05 3kw0 s PHE 178 CO -0.15 -0.08 1.75 -1.35 -0.10 0.00 0.00 175.22 175.29 3kw0 h PRO 179 N 0.99 0.65 -0.82 0.24 0.11 -1.91 -2.05 132.00 129.20 3kw0 h PRO 179 Ca -0.43 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.84 3kw0 h PRO 179 Cb 1.26 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.10 3kw0 h PRO 179 CO 0.54 0.43 0.23 1.49 -0.21 0.00 0.00 178.00 180.48 3kw0 h GLU 180 N 0.67 0.25 -0.33 1.05 4.57 -1.92 0.23 114.58 119.09 3kw0 h GLU 180 Ca 0.60 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.75 3kw0 h GLU 180 Cb 1.04 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3kw0 h GLU 180 CO -0.43 0.17 0.12 0.45 -1.18 0.00 0.00 179.01 178.14 3kw0 h HIS 181 N 0.26 0.46 -0.02 0.92 3.86 -1.70 0.15 115.15 119.09 3kw0 h HIS 181 Ca 0.50 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.60 3kw0 h HIS 181 Cb 0.93 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.26 3kw0 h HIS 181 CO -0.25 0.38 -0.34 0.82 0.86 0.00 0.00 177.93 179.40 3kw0 h ILE 182 N 0.47 1.48 -0.70 2.45 2.04 -0.69 -2.82 117.51 119.73 3kw0 h ILE 182 Ca 0.12 -1.88 0.06 0.00 1.00 0.00 0.00 64.86 64.15 3kw0 h ILE 182 Cb 0.12 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 3kw0 h ILE 182 CO -0.01 0.53 0.40 0.00 0.00 0.00 0.00 178.15 179.07 3kw0 h ALA 183 N 0.33 0.94 0.00 1.87 0.00 -0.73 -2.94 119.26 118.73 3kw0 h ALA 183 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kw0 h ALA 183 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kw0 h ALA 183 CO 0.07 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3kw0 h ALA 184 N 1.35 1.00 -2.43 0.00 0.00 -0.74 -3.42 119.26 115.02 3kw0 h ALA 184 Ca 0.31 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.66 3kw0 h ALA 184 Cb 0.17 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.03 3kw0 h ALA 184 CO -0.17 0.00 0.81 -3.47 0.00 0.00 0.00 179.25 176.42 3kw0 n ASP 185 N -3.04 3.32 0.24 0.00 -0.08 -1.07 -4.60 116.55 111.33 3kw0 n ASP 185 Ca 0.03 1.10 0.16 0.00 -1.51 0.00 0.00 54.79 54.57 3kw0 n ASP 185 Cb 0.44 -1.48 0.86 0.00 2.34 0.00 0.00 41.12 43.28 3kw0 n ASP 185 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 3kw0 h HIS 186 N 5.57 0.00 -0.01 -0.67 -0.00 -1.91 -1.34 115.15 116.79 3kw0 h HIS 186 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3kw0 h HIS 186 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3kw0 h HIS 186 CO 0.61 0.00 -0.07 0.72 -0.00 0.00 0.00 177.93 179.19 3kw0 n HIS 187 N -3.81 0.00 -3.56 6.12 8.25 -1.26 -4.79 115.22 116.16 3kw0 n HIS 187 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3kw0 n HIS 187 Cb 0.24 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 3kw0 n HIS 187 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kw0 s VAL 188 N -2.14 4.96 -0.15 1.59 1.01 -0.51 -0.16 120.40 125.01 3kw0 s VAL 188 Ca 0.35 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3kw0 s VAL 188 Cb 0.21 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3kw0 s VAL 188 CO 0.38 -0.09 0.10 -0.76 0.00 0.00 0.00 175.10 174.74 3kw0 s LEU 189 N 1.65 4.11 0.40 3.92 1.43 -0.33 -4.82 118.68 125.04 3kw0 s LEU 189 Ca 0.05 0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.18 3kw0 s LEU 189 Cb -0.18 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 3kw0 s LEU 189 CO 0.09 0.29 1.09 -2.84 0.23 0.00 0.00 176.35 175.20 3kw0 s PRO 190 N -0.32 4.11 -0.04 1.29 0.02 -1.26 -1.03 135.00 137.77 3kw0 s PRO 190 Ca 0.10 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 3kw0 s PRO 190 Cb -0.12 -2.57 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 3kw0 s PRO 190 CO 0.01 -0.21 -0.12 -0.89 -0.33 0.00 0.00 177.00 175.47 3kw0 n ILE 191 N -0.05 0.91 -3.52 2.83 5.41 0.37 -4.87 119.36 120.44 3kw0 n ILE 191 Ca 0.05 0.10 -0.16 0.00 1.00 0.00 0.00 62.75 63.74 3kw0 n ILE 191 Cb 0.49 -1.73 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 3kw0 n ILE 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kw0 s ALA 192 N -2.23 -1.79 0.11 -1.39 0.00 -1.05 -4.63 121.76 110.78 3kw0 s ALA 192 Ca -0.11 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.98 3kw0 s ALA 192 Cb 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 3kw0 s ALA 192 CO 0.15 -0.40 0.56 -1.14 0.00 0.00 0.00 175.76 174.94 3kw0 s GLN 193 N -1.43 4.10 -0.20 0.00 0.74 -0.77 -0.14 119.66 121.96 3kw0 s GLN 193 Ca -0.08 0.63 -0.22 0.00 0.05 0.00 0.00 55.36 55.75 3kw0 s GLN 193 Cb -0.00 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.00 3kw0 s GLN 193 CO 0.06 0.56 0.67 0.42 -0.55 0.00 0.00 175.29 176.45 3kw0 s ILE 194 N -1.28 4.99 -1.70 -2.34 1.01 -0.40 -0.79 121.20 120.69 3kw0 s ILE 194 Ca 0.33 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.25 3kw0 s ILE 194 Cb -0.17 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3kw0 s ILE 194 CO 0.19 0.09 0.42 1.21 0.00 0.00 0.00 174.94 176.85