#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw0 n GLY 2 N 0.00 0.00 0.28 -0.02 0.00 -1.26 -3.99 105.19 100.20 3kw0 n GLY 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3kw0 n GLY 2 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kw0 h THR 3 N 0.00 0.00 -0.71 2.61 2.02 -1.96 -2.99 112.91 111.88 3kw0 h THR 3 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3kw0 h THR 3 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 3kw0 h THR 3 CO 0.00 0.00 0.39 -2.24 0.37 0.00 0.00 175.52 174.04 3kw0 h ASP 4 N -0.55 0.57 -0.63 4.18 2.03 -2.01 -1.84 116.42 118.16 3kw0 h ASP 4 Ca -0.03 0.04 0.18 0.00 -0.73 0.00 0.00 57.03 56.49 3kw0 h ASP 4 Cb 0.49 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.89 3kw0 h ASP 4 CO -0.06 0.36 0.60 0.50 -1.03 0.00 0.00 179.24 179.61 3kw0 h LYS 5 N 0.71 0.00 -0.11 4.15 3.64 -1.88 -0.23 116.57 122.85 3kw0 h LYS 5 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3kw0 h LYS 5 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kw0 h LYS 5 CO -0.20 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.17 3kw0 n PHE 6 N -3.81 0.14 0.15 1.91 3.01 -0.71 -4.75 117.46 113.40 3kw0 n PHE 6 Ca 0.13 -0.16 0.01 0.00 1.01 0.00 0.00 57.45 58.43 3kw0 n PHE 6 Cb 0.83 -0.01 0.29 0.00 -0.01 0.00 0.00 39.48 40.59 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 2.00 0.09 -0.59 4.37 2.35 -0.88 -3.22 115.58 119.70 3kw0 h ASN 7 Ca 0.00 -0.04 -0.42 0.00 -0.55 0.00 0.00 56.30 55.30 3kw0 h ASN 7 Cb 0.53 -0.03 -0.40 0.00 0.05 0.00 0.00 38.32 38.47 3kw0 h ASN 7 CO 0.00 0.49 -0.91 0.59 -1.65 0.00 0.00 177.43 175.95 3kw0 n ASN 8 N -4.05 3.61 -4.85 5.81 5.03 -1.26 -5.06 115.26 114.49 3kw0 n ASN 8 Ca -0.02 -3.16 -0.32 0.00 0.87 0.00 0.00 54.58 51.95 3kw0 n ASN 8 Cb 0.45 -0.39 -0.04 0.00 -1.02 0.00 0.00 39.78 38.77 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 -4.17 4.59 0.40 2.41 1.10 -1.22 -5.00 121.20 119.32 3kw0 s ILE 9 Ca 0.42 1.07 -0.26 0.00 -0.51 0.00 0.00 60.65 61.37 3kw0 s ILE 9 Cb 0.38 -3.70 -0.09 0.00 0.15 0.00 0.00 42.46 39.20 3kw0 s ILE 9 CO 0.00 -0.55 1.27 -1.59 -2.11 0.00 0.00 174.94 171.97 3kw0 s LYS 10 N -3.80 4.02 -0.37 3.50 -2.85 -1.26 -4.70 119.74 114.28 3kw0 s LYS 10 Ca 0.57 2.09 -0.16 0.00 -1.00 0.00 0.00 55.97 57.47 3kw0 s LYS 10 Cb -0.10 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 32.90 3kw0 s LYS 10 CO 0.28 -0.43 0.41 0.42 0.10 0.00 0.00 175.35 176.12 3kw0 s ILE 11 N -1.28 5.12 0.03 3.79 -1.09 -1.26 -1.71 121.20 124.80 3kw0 s ILE 11 Ca 0.56 -0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.95 3kw0 s ILE 11 Cb -0.37 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3kw0 s ILE 11 CO 0.47 -0.23 -0.03 -1.81 -1.23 0.00 0.00 174.94 172.11 3kw0 s ASP 12 N 1.76 4.86 0.39 3.58 1.01 -0.28 -4.85 116.67 123.15 3kw0 s ASP 12 Ca 0.13 -0.12 -0.25 0.00 0.71 0.00 0.00 52.55 53.02 3kw0 s ASP 12 Cb -0.17 -1.17 -0.09 0.00 1.01 0.00 0.00 42.92 42.50 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 -1.71 4.15 0.21 8.23 1.02 -1.26 -0.70 119.74 129.68 3kw0 s LYS 13 Ca 0.20 1.65 -0.10 0.00 0.02 0.00 0.00 55.97 57.74 3kw0 s LYS 13 Cb -0.11 -2.63 0.30 0.00 -0.52 0.00 0.00 37.83 34.86 3kw0 s LYS 13 CO 0.11 -0.19 1.70 -0.92 -0.92 0.00 0.00 175.35 175.14 3kw0 h TYR 14 N 2.63 0.21 -1.00 3.18 3.20 -1.95 -1.45 116.97 121.79 3kw0 h TYR 14 Ca -0.48 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.53 3kw0 h TYR 14 Cb 1.22 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.42 3kw0 h TYR 14 CO 0.57 -0.03 0.64 0.93 -1.64 0.00 0.00 178.16 178.62 3kw0 h GLU 15 N 0.26 1.01 -0.24 1.82 3.07 -2.01 -1.95 114.58 116.53 3kw0 h GLU 15 Ca 0.32 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.94 3kw0 h GLU 15 Cb 0.47 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3kw0 h GLU 15 CO -0.40 0.67 -0.54 -0.91 -1.40 0.00 0.00 179.01 176.42 3kw0 h ASN 16 N 1.04 0.81 -0.01 1.42 -0.26 -1.66 -3.32 115.58 113.60 3kw0 h ASN 16 Ca 0.48 -0.43 -0.10 0.00 -0.56 0.00 0.00 56.30 55.69 3kw0 h ASN 16 Cb 0.40 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3kw0 h ASN 16 CO -0.23 1.19 -0.28 -0.07 -1.06 0.00 0.00 177.43 176.98 3kw0 h LEU 17 N 0.56 0.44 -0.90 1.61 3.38 -0.89 -3.20 115.31 116.32 3kw0 h LEU 17 Ca 0.01 -0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.07 3kw0 h LEU 17 Cb 1.12 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 3kw0 h LEU 17 CO 0.11 0.71 0.01 -0.38 0.09 0.00 0.00 178.44 178.98 3kw0 n ILE 18 N -4.11 -0.38 0.23 1.22 2.08 -1.05 -0.12 119.36 117.22 3kw0 n ILE 18 Ca -0.01 1.98 0.10 0.00 0.56 0.00 0.00 62.75 65.38 3kw0 n ILE 18 Cb 0.42 -2.88 0.48 0.00 -0.75 0.00 0.00 39.64 36.91 3kw0 n ILE 18 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3kw0 h ASN 19 N 0.00 0.00 0.78 4.38 2.35 -1.79 -3.15 115.58 118.16 3kw0 h ASN 19 Ca 0.54 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.16 3kw0 h ASN 19 Cb 1.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3kw0 h ASN 19 CO -0.85 0.21 -1.30 0.58 -1.65 0.00 0.00 177.43 174.42 3kw0 h VAL 20 N 0.00 0.38 -3.92 2.81 2.07 -0.70 -3.47 116.25 113.42 3kw0 h VAL 20 Ca -0.00 -1.76 -0.50 0.00 0.82 0.00 0.00 66.70 65.25 3kw0 h VAL 20 Cb 0.72 1.91 0.04 0.00 -1.52 0.00 0.00 31.29 32.44 3kw0 h VAL 20 CO 0.03 0.22 0.49 -0.76 0.02 0.00 0.00 177.57 177.56 3kw0 s LEU 21 N -5.70 4.24 0.06 2.57 1.43 -0.74 -5.04 118.68 115.50 3kw0 s LEU 21 Ca -0.02 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 3kw0 s LEU 21 Cb 0.09 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 3kw0 s LEU 21 CO 0.80 -0.56 -0.15 -0.54 0.23 0.00 0.00 176.35 176.13 3kw0 s LYS 22 N -2.19 0.96 0.22 1.70 3.01 -1.26 -5.02 119.74 117.15 3kw0 s LYS 22 Ca 0.55 -0.87 -0.32 0.00 -1.01 0.00 0.00 55.97 54.32 3kw0 s LYS 22 Cb -0.29 -1.00 -0.13 0.00 -1.01 0.00 0.00 37.83 35.39 3kw0 s LYS 22 CO 0.37 0.24 1.45 2.41 0.51 0.00 0.00 175.35 180.34 3kw0 n THR 23 N 1.63 0.70 0.00 2.17 -1.04 -1.26 -1.68 114.28 114.81 3kw0 n THR 23 Ca -0.19 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 3kw0 n THR 23 Cb 0.54 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 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 2.47 2.71 3.66 3.41 0.00 0.31 -4.98 105.19 112.77 3kw0 n GLY 24 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3kw0 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kw0 n ASP 25 N 0.00 0.93 -4.47 1.61 8.00 -0.67 -4.68 116.55 117.26 3kw0 n ASP 25 Ca 0.00 0.65 -0.35 0.00 0.71 0.00 0.00 54.79 55.80 3kw0 n ASP 25 Cb 0.00 -1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 39.51 3kw0 n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kw0 s ILE 26 N -1.89 4.07 0.06 0.53 1.01 0.04 -0.58 121.20 124.44 3kw0 s ILE 26 Ca 0.75 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 3kw0 s ILE 26 Cb -0.32 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 3kw0 s ILE 26 CO 0.49 0.43 0.53 0.12 0.00 0.00 0.00 174.94 176.51 3kw0 s PHE 27 N 0.95 3.78 0.00 3.97 5.36 0.38 -0.68 117.98 131.73 3kw0 s PHE 27 Ca 0.02 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.20 3kw0 s PHE 27 Cb -0.14 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 3kw0 s PHE 27 CO 0.02 0.59 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.81 3kw0 s LEU 28 N -1.16 2.05 0.04 6.12 1.43 -0.23 -1.90 118.68 125.04 3kw0 s LEU 28 Ca 0.28 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3kw0 s LEU 28 Cb -0.19 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 3kw0 s LEU 28 CO 0.18 0.01 -0.05 0.00 0.23 0.00 0.00 176.35 176.72 3kw0 s SER 30 N -1.90 4.32 0.43 0.00 0.15 -0.37 -0.63 113.70 115.70 3kw0 s SER 30 Ca -0.07 -2.65 -0.01 0.00 0.70 0.00 0.00 55.95 53.91 3kw0 s SER 30 Cb -0.05 -1.50 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 3kw0 s SER 30 CO -0.02 -0.29 0.68 -0.83 1.20 0.00 0.00 173.24 173.97 3kw0 s GLY 31 N 0.23 1.47 0.00 9.45 0.00 -1.26 -1.37 107.32 115.84 3kw0 s GLY 31 Ca 0.15 -0.84 0.16 0.00 0.00 0.00 0.00 44.72 44.19 3kw0 s GLY 31 CO -0.04 -0.70 1.33 0.70 0.00 0.00 0.00 173.10 174.39 3kw0 n ASN 32 N -2.07 3.23 -4.79 1.64 3.02 -0.39 -4.48 115.26 111.42 3kw0 n ASN 32 Ca -0.01 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.27 3kw0 n ASN 32 Cb 0.57 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.06 2.80 0.14 3.10 2.02 -1.26 -4.80 117.35 118.29 3kw0 s TYR 33 Ca 0.32 1.51 -0.18 0.00 -0.37 0.00 0.00 57.07 58.35 3kw0 s TYR 33 Cb 0.17 -3.02 0.01 0.00 -0.40 0.00 0.00 41.96 38.73 3kw0 s TYR 33 CO 0.23 -1.51 1.74 -0.07 -1.57 0.00 0.00 175.55 174.37 3kw0 h LEU 34 N -0.54 0.04 -1.17 -1.29 3.38 -1.99 0.05 115.31 113.79 3kw0 h LEU 34 Ca -0.45 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3kw0 h LEU 34 Cb 1.23 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 3kw0 h LEU 34 CO 0.54 0.06 0.57 0.58 0.09 0.00 0.00 178.44 180.28 3kw0 h VAL 35 N 0.18 1.14 -0.49 1.22 2.07 -1.99 -1.45 116.25 116.93 3kw0 h VAL 35 Ca 0.13 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kw0 h VAL 35 Cb 0.12 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3kw0 h VAL 35 CO -0.16 0.20 0.32 0.28 0.02 0.00 0.00 177.57 178.23 3kw0 h SER 36 N 1.08 0.57 -0.39 0.57 0.02 -1.56 -1.96 113.55 111.88 3kw0 h SER 36 Ca 0.35 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3kw0 h SER 36 Cb 0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3kw0 h SER 36 CO -0.10 0.43 0.05 0.11 -1.14 0.00 0.00 176.83 176.17 3kw0 h LYS 37 N 0.67 0.75 -0.42 3.45 1.57 -0.37 -0.60 116.57 121.60 3kw0 h LYS 37 Ca 0.18 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3kw0 h LYS 37 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3kw0 h LYS 37 CO -0.04 0.72 0.15 1.25 -0.57 0.00 0.00 179.45 180.97 3kw0 h LEU 38 N 0.71 0.59 -0.72 2.94 5.85 -0.87 -0.86 115.31 122.96 3kw0 h LEU 38 Ca 0.15 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kw0 h LEU 38 Cb 0.36 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3kw0 h LEU 38 CO 0.01 0.62 0.45 0.40 -0.34 0.00 0.00 178.44 179.57 3kw0 h ILE 39 N 0.54 1.08 -0.52 4.05 2.04 -0.77 -1.37 117.51 122.56 3kw0 h ILE 39 Ca 0.14 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3kw0 h ILE 39 Cb 0.22 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3kw0 h ILE 39 CO -0.01 0.16 -0.05 0.11 0.00 0.00 0.00 178.15 178.36 3kw0 h LYS 40 N 0.87 0.95 0.04 2.37 1.57 -0.69 -1.89 116.57 119.79 3kw0 h LYS 40 Ca 0.29 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kw0 h LYS 40 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kw0 h LYS 40 CO -0.12 0.99 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.52 3kw0 h LYS 41 N 0.82 -0.05 0.00 3.15 3.64 -0.93 0.16 116.57 123.36 3kw0 h LYS 41 Ca 0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3kw0 h LYS 41 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3kw0 h LYS 41 CO 0.04 0.31 -0.31 0.28 -2.27 0.00 0.00 179.45 177.49 3kw0 h VAL 42 N -0.41 1.12 -0.01 2.00 2.07 -1.26 -2.97 116.25 116.79 3kw0 h VAL 42 Ca -0.01 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3kw0 h VAL 42 Cb 0.38 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3kw0 h VAL 42 CO 0.01 0.30 -0.46 -1.54 0.02 0.00 0.00 177.57 175.91 3kw0 n SER 43 N -4.01 1.83 -3.50 0.57 3.41 -0.71 -5.00 113.62 106.21 3kw0 n SER 43 Ca -0.02 -1.41 -0.23 0.00 -0.26 0.00 0.00 58.87 56.95 3kw0 n SER 43 Cb 0.37 0.51 0.04 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.14 -1.51 0.00 4.33 1.02 0.49 -4.94 120.64 119.90 3kw0 n GLU 44 Ca 0.08 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3kw0 n GLU 44 Cb 0.42 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.20 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 -2.68 2.37 -0.35 1.62 2.88 -0.77 -2.91 113.62 113.78 3kw0 n SER 45 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 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 0.41 0.66 3.72 -1.26 -4.58 117.46 116.41 3kw0 n PHE 47 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3kw0 n PHE 47 Cb 0.00 -0.12 -0.11 0.00 -0.94 0.00 0.00 39.48 38.31 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 0.71 0.95 -3.82 4.37 3.41 0.19 -4.46 113.62 114.97 3kw0 n SER 48 Ca 0.00 -0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 3kw0 n SER 48 Cb 0.00 1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 65.22 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 -2.83 -0.05 0.07 7.33 5.65 -0.83 -4.91 115.29 119.71 3kw0 s HIS 49 Ca 0.00 0.01 -0.10 0.00 0.25 0.00 0.00 55.06 55.23 3kw0 s HIS 49 Cb 0.12 0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.54 3kw0 s HIS 49 CO 0.68 -0.37 0.21 -0.08 -0.65 0.00 0.00 174.74 174.54 3kw0 s THR 50 N -1.63 0.12 0.24 0.89 -1.32 -1.26 -1.35 115.64 111.34 3kw0 s THR 50 Ca -0.12 -0.99 -0.21 0.00 -1.21 0.00 0.00 61.69 59.16 3kw0 s THR 50 Cb -0.05 -1.12 0.07 0.00 -1.51 0.00 0.00 72.50 69.88 3kw0 s THR 50 CO 0.02 -0.55 0.94 -0.83 -2.21 0.00 0.00 174.62 171.99 3kw0 s GLY 51 N -2.47 0.13 -0.10 6.08 0.00 -0.80 -4.62 107.32 105.54 3kw0 s GLY 51 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.35 3kw0 s GLY 51 CO -0.07 1.16 -0.17 -0.42 0.00 0.00 0.00 173.10 173.60 3kw0 s ILE 52 N -2.45 2.77 0.19 0.90 1.01 -1.26 -0.47 121.20 121.88 3kw0 s ILE 52 Ca 0.18 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 3kw0 s ILE 52 Cb -0.03 -2.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.24 3kw0 s ILE 52 CO 0.07 0.55 1.00 -0.63 0.00 0.00 0.00 174.94 175.92 3kw0 s ILE 53 N 0.08 4.10 -0.10 2.92 -1.09 0.25 -4.45 121.20 122.90 3kw0 s ILE 53 Ca -0.07 1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 60.26 3kw0 s ILE 53 Cb -0.15 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3kw0 s ILE 53 CO 0.05 0.38 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.41 3kw0 s VAL 54 N -0.58 0.73 -0.20 2.92 1.01 0.69 -0.53 120.40 124.43 3kw0 s VAL 54 Ca 0.45 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 3kw0 s VAL 54 Cb -0.26 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3kw0 s VAL 54 CO 0.33 0.27 0.66 -0.54 0.00 0.00 0.00 175.10 175.82 3kw0 s LYS 55 N 1.82 4.22 -0.49 2.72 -0.14 -1.26 -0.60 119.74 126.00 3kw0 s LYS 55 Ca 0.04 0.67 -0.12 0.00 -1.36 0.00 0.00 55.97 55.20 3kw0 s LYS 55 Cb -0.13 -3.58 0.11 0.00 -1.68 0.00 0.00 37.83 32.55 3kw0 s LYS 55 CO -0.07 -0.27 0.40 1.67 -0.76 0.00 0.00 175.35 176.32 3kw0 s TRP 56 N 2.00 3.33 0.00 3.18 -2.14 0.20 -4.95 118.94 120.57 3kw0 s TRP 56 Ca 0.30 -1.51 0.00 0.00 2.66 0.00 0.00 56.10 57.55 3kw0 s TRP 56 Cb -0.16 -3.52 0.00 0.00 -3.10 0.00 0.00 33.47 26.69 3kw0 s TRP 56 CO 0.10 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.84 3kw0 n GLY 57 N 5.07 3.99 0.11 3.67 0.00 -1.26 -0.12 105.19 116.65 3kw0 n GLY 57 Ca -0.11 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 14.00 0.60 -3.31 1.61 2.13 -1.26 -4.89 120.64 129.52 3kw0 n GLU 58 Ca 0.00 -0.22 -0.38 0.00 0.66 0.00 0.00 57.16 57.22 3kw0 n GLU 58 Cb 0.00 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.16 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 -2.55 3.68 -0.24 4.31 3.76 0.83 -5.02 115.29 120.06 3kw0 s HIS 59 Ca 0.26 1.10 -0.06 0.00 -0.15 0.00 0.00 55.06 56.21 3kw0 s HIS 59 Cb 0.20 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 3kw0 s HIS 59 CO 0.50 0.43 0.03 0.99 -0.85 0.00 0.00 174.74 175.84 3kw0 s THR 60 N -0.41 4.04 0.23 1.30 2.01 -1.26 0.62 115.64 122.17 3kw0 s THR 60 Ca 0.28 -0.27 0.11 0.00 0.31 0.00 0.00 61.69 62.13 3kw0 s THR 60 Cb -0.17 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3kw0 s THR 60 CO 0.15 0.37 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.47 3kw0 s LEU 61 N 1.51 2.50 0.00 4.42 1.43 0.23 -1.93 118.68 126.84 3kw0 s LEU 61 Ca 0.06 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3kw0 s LEU 61 Cb -0.15 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3kw0 s LEU 61 CO 0.02 0.08 0.02 0.00 0.23 0.00 0.00 176.35 176.69 3kw0 n ILE 62 N -0.09 0.00 0.00 -0.59 0.13 0.12 -0.22 119.36 118.71 3kw0 n ILE 62 Ca -0.10 -1.04 0.00 0.00 -1.10 0.00 0.00 62.75 60.51 3kw0 n ILE 62 Cb 0.58 0.17 0.00 0.00 -0.84 0.00 0.00 39.64 39.54 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 -0.60 0.00 -3.61 9.51 0.28 -0.38 -1.54 120.64 124.31 3kw0 n GLU 64 Ca -0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.53 3kw0 n GLU 64 Cb 0.28 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.04 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 5.90 -0.25 -1.84 0.15 -1.26 -0.66 113.70 115.74 3kw0 s SER 65 Ca 0.00 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.51 3kw0 s SER 65 Cb 0.00 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 3kw0 s SER 65 CO 0.00 -0.07 0.02 -0.69 1.20 0.00 0.00 173.24 173.70 3kw0 s VAL 66 N 1.73 3.75 0.39 4.45 1.01 -0.27 -3.87 120.40 127.59 3kw0 s VAL 66 Ca 0.07 -0.49 0.25 0.00 0.00 0.00 0.00 61.98 61.81 3kw0 s VAL 66 Cb -0.16 -2.79 0.27 0.00 0.00 0.00 0.00 36.38 33.69 3kw0 s VAL 66 CO 0.10 0.29 2.03 -0.33 0.00 0.00 0.00 175.10 177.19 3kw0 h GLU 67 N 8.17 0.00 -0.76 2.72 3.07 -1.86 0.64 114.58 126.56 3kw0 h GLU 67 Ca -0.37 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.27 3kw0 h GLU 67 Cb 1.15 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.94 3kw0 h GLU 67 CO 0.59 0.15 0.27 -0.40 -1.40 0.00 0.00 179.01 178.22 3kw0 n ASP 68 N -3.70 4.84 0.00 1.42 5.75 -1.26 -4.61 116.55 118.99 3kw0 n ASP 68 Ca -0.02 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.58 3kw0 n ASP 68 Cb 0.26 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.11 0.00 0.00 -1.12 -0.08 0.05 -5.01 116.55 110.28 3kw0 n ASP 69 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 3kw0 n ASP 69 Cb 1.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.84 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 0.12 -1.64 3.53 0.27 0.00 -0.22 -0.31 105.19 106.94 3kw0 n GLY 70 Ca 0.00 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.16 4.36 0.25 1.61 1.01 -1.26 -1.11 120.40 123.10 3kw0 s VAL 71 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.33 3kw0 s VAL 71 Cb 0.00 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 3kw0 s VAL 71 CO 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 175.10 173.98 3kw0 s ARG 72 N 4.04 1.39 -0.09 2.72 1.70 0.17 -1.90 118.95 126.97 3kw0 s ARG 72 Ca 0.31 -1.72 0.01 0.00 -0.47 0.00 0.00 55.73 53.86 3kw0 s ARG 72 Cb -0.12 -0.60 0.02 0.00 -0.57 0.00 0.00 34.95 33.68 3kw0 s ARG 72 CO 0.20 -0.14 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.69 3kw0 s ILE 73 N -3.45 1.03 0.11 4.99 2.07 -1.26 -1.25 121.20 123.44 3kw0 s ILE 73 Ca 0.31 -0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 59.10 3kw0 s ILE 73 Cb 0.06 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.65 3kw0 s ILE 73 CO 0.10 0.35 0.25 0.68 -1.91 0.00 0.00 174.94 174.42 3kw0 s VAL 74 N 1.29 0.11 0.22 4.00 -7.23 -0.59 -4.96 120.40 113.25 3kw0 s VAL 74 Ca -0.03 -1.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 3kw0 s VAL 74 Cb -0.14 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 3kw0 s VAL 74 CO -0.03 -0.51 1.52 -2.84 -0.31 0.00 0.00 175.10 172.92 3kw0 s PRO 75 N -3.87 4.22 0.47 4.82 0.02 -1.26 0.14 135.00 139.54 3kw0 s PRO 75 Ca 0.07 2.37 0.22 0.00 0.02 0.00 0.00 61.00 63.68 3kw0 s PRO 75 Cb 0.04 -3.11 1.22 0.00 0.02 0.00 0.00 34.50 32.67 3kw0 s PRO 75 CO -0.09 -0.53 1.91 1.25 -0.33 0.00 0.00 177.00 179.21 3kw0 h LEU 76 N 5.70 0.23 -1.91 -5.54 5.85 -1.67 -0.48 115.31 117.49 3kw0 h LEU 76 Ca -0.45 0.02 0.37 0.00 0.84 0.00 0.00 57.88 58.66 3kw0 h LEU 76 Cb 1.21 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 3kw0 h LEU 76 CO 0.83 0.11 0.91 -0.33 -0.34 0.00 0.00 178.44 179.62 3kw0 h GLU 77 N 0.24 0.04 -0.91 1.25 3.07 -1.90 -0.13 114.58 116.24 3kw0 h GLU 77 Ca 0.39 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.26 3kw0 h GLU 77 Cb 1.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 3kw0 h GLU 77 CO -0.09 0.03 0.60 0.45 -1.40 0.00 0.00 179.01 178.60 3kw0 h HIS 78 N 0.04 1.14 -0.10 4.33 3.86 -1.34 0.40 115.15 123.48 3kw0 h HIS 78 Ca 0.62 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.83 3kw0 h HIS 78 Cb 2.39 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 30.47 3kw0 h HIS 78 CO -0.00 0.71 -0.10 1.88 0.86 0.00 0.00 177.93 181.28 3kw0 h TYR 79 N 1.22 0.15 0.20 2.45 -1.99 -1.20 -0.55 116.97 117.25 3kw0 h TYR 79 Ca 0.34 -0.01 -0.30 0.00 2.00 0.00 0.00 58.73 60.75 3kw0 h TYR 79 Cb -0.12 -0.05 0.02 0.00 2.00 0.00 0.00 36.73 38.59 3kw0 h TYR 79 CO -0.01 0.25 -1.41 0.82 -0.00 0.00 0.00 178.16 177.81 3kw0 h ILE 80 N 0.14 1.21 0.00 -2.88 1.08 -1.31 0.18 117.51 115.93 3kw0 h ILE 80 Ca 0.03 -2.58 -0.03 0.00 -0.39 0.00 0.00 64.86 61.89 3kw0 h ILE 80 Cb 0.27 2.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.98 3kw0 h ILE 80 CO 0.02 0.79 -1.11 0.29 -0.69 0.00 0.00 178.15 177.45 3kw0 n LYS 81 N -3.80 3.09 -2.94 2.37 4.01 0.03 -3.80 118.16 117.13 3kw0 n LYS 81 Ca -0.19 -0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.50 3kw0 n LYS 81 Cb 1.02 -1.04 -0.02 0.00 -0.51 0.00 0.00 35.03 34.47 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 -1.98 -2.58 -4.66 4.39 2.85 -0.34 -2.38 115.26 110.57 3kw0 n ASN 82 Ca -0.02 -2.77 -0.42 0.00 -0.11 0.00 0.00 54.58 51.25 3kw0 n ASN 82 Cb 0.47 1.08 -0.03 0.00 1.24 0.00 0.00 39.78 42.54 3kw0 n ASN 82 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3kw0 s TYR 83 N 0.62 3.35 -1.30 1.20 5.04 0.55 -4.18 117.35 122.62 3kw0 s TYR 83 Ca 0.31 1.30 -0.16 0.00 -2.44 0.00 0.00 57.07 56.08 3kw0 s TYR 83 Cb 0.02 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.21 3kw0 s TYR 83 CO -0.10 -0.39 0.52 -1.91 -1.34 0.00 0.00 175.55 172.33 3kw0 n GLU 84 N 5.94 -1.39 -1.59 4.97 2.13 -1.26 -1.84 120.64 127.60 3kw0 n GLU 84 Ca 0.08 0.26 -0.20 0.00 0.66 0.00 0.00 57.16 57.96 3kw0 n GLU 84 Cb 0.47 -3.63 -0.09 0.00 0.27 0.00 0.00 31.44 28.46 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 -2.63 -5.46 0.03 4.31 3.02 -1.26 -4.86 115.26 108.41 3kw0 n ASN 85 Ca -0.20 0.50 0.13 0.00 -0.03 0.00 0.00 54.58 54.98 3kw0 n ASN 85 Cb 0.63 -4.74 0.34 0.00 -0.61 0.00 0.00 39.78 35.40 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 -1.29 0.45 -1.84 6.41 3.41 -0.77 -4.94 113.62 115.06 3kw0 n SER 86 Ca -0.20 0.13 -0.20 0.00 -0.26 0.00 0.00 58.87 58.33 3kw0 n SER 86 Cb 0.67 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.74 -5.51 -4.19 4.04 3.02 -1.26 -4.93 115.26 104.70 3kw0 n ASN 87 Ca 0.05 0.35 -0.11 0.00 -0.03 0.00 0.00 54.58 54.84 3kw0 n ASN 87 Cb 0.37 -4.78 -0.10 0.00 -0.61 0.00 0.00 39.78 34.66 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 -2.52 0.91 0.61 6.41 0.01 -1.00 -4.68 114.94 114.67 3kw0 s ASN 88 Ca 0.00 -1.13 -0.19 0.00 -0.71 0.00 0.00 52.86 50.83 3kw0 s ASN 88 Cb 0.00 0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.80 3kw0 s ASN 88 CO 0.00 -0.59 1.26 -0.60 -1.51 0.00 0.00 177.10 175.66 3kw0 s ARG 89 N -3.93 2.83 0.17 -0.60 3.52 -1.25 -0.33 118.95 119.36 3kw0 s ARG 89 Ca 0.20 1.98 -0.33 0.00 -0.13 0.00 0.00 55.73 57.44 3kw0 s ARG 89 Cb 0.06 -1.94 -0.15 0.00 -1.56 0.00 0.00 34.95 31.36 3kw0 s ARG 89 CO 0.00 -1.36 1.27 0.98 -0.81 0.00 0.00 175.30 175.39 3kw0 n TYR 90 N -1.64 1.58 -2.60 5.12 9.36 0.62 -4.74 117.16 124.87 3kw0 n TYR 90 Ca 0.14 0.59 -0.42 0.00 3.32 0.00 0.00 57.90 61.53 3kw0 n TYR 90 Cb 0.48 -2.34 -0.02 0.00 -0.63 0.00 0.00 39.34 36.83 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 0.20 6.65 0.00 2.98 2.47 -1.26 -4.79 114.94 121.18 3kw0 s ASN 91 Ca 0.74 -1.90 0.00 0.00 0.42 0.00 0.00 52.86 52.12 3kw0 s ASN 91 Cb -0.81 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 36.43 3kw0 s ASN 91 CO 0.50 -1.34 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 3kw0 n GLY 92 N 6.17 -1.49 3.65 1.21 0.00 -1.26 -1.26 105.19 112.21 3kw0 n GLY 92 Ca 0.38 -1.23 -0.23 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 -3.72 4.60 -0.01 1.61 1.04 -0.47 -4.94 113.70 111.81 3kw0 s SER 93 Ca 0.00 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3kw0 s SER 93 Cb 0.00 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 3kw0 s SER 93 CO 0.00 0.01 -0.10 -0.76 0.98 0.00 0.00 173.24 173.37 3kw0 s LEU 94 N -3.56 2.02 0.04 2.42 1.43 -1.26 -1.24 118.68 118.53 3kw0 s LEU 94 Ca 0.31 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3kw0 s LEU 94 Cb -0.07 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 3kw0 s LEU 94 CO 0.20 0.12 0.00 -0.36 0.23 0.00 0.00 176.35 176.55 3kw0 s PHE 95 N -0.25 0.35 -0.01 0.29 0.40 0.50 -0.97 117.98 118.28 3kw0 s PHE 95 Ca 0.04 -0.74 0.07 0.00 -0.60 0.00 0.00 56.93 55.71 3kw0 s PHE 95 Cb -0.04 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 3kw0 s PHE 95 CO -0.00 -0.31 -0.24 0.42 0.70 0.00 0.00 175.22 175.79 3kw0 s ILE 96 N -2.75 1.86 0.31 0.64 -1.09 0.10 -1.07 121.20 119.21 3kw0 s ILE 96 Ca -0.04 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.37 3kw0 s ILE 96 Cb -0.00 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 3kw0 s ILE 96 CO -0.06 0.50 0.13 0.00 -1.23 0.00 0.00 174.94 174.28 3kw0 s ALA 97 N -0.58 2.10 -0.03 9.38 0.00 0.14 -0.92 121.76 131.84 3kw0 s ALA 97 Ca 0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 3kw0 s ALA 97 Cb -0.09 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.06 3kw0 s ALA 97 CO -0.01 -0.45 0.09 0.50 0.00 0.00 0.00 175.76 175.89 3kw0 s ARG 98 N -3.85 0.10 0.10 0.00 3.52 -0.36 -0.78 118.95 117.68 3kw0 s ARG 98 Ca 0.34 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.81 3kw0 s ARG 98 Cb 0.06 0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.42 3kw0 s ARG 98 CO 0.16 -0.02 0.79 -1.58 -0.81 0.00 0.00 175.30 173.85 3kw0 s HIS 99 N 0.08 3.81 0.26 5.12 5.65 -1.26 -0.63 115.29 128.32 3kw0 s HIS 99 Ca -0.00 1.58 -0.02 0.00 0.25 0.00 0.00 55.06 56.86 3kw0 s HIS 99 Cb -0.01 -2.83 0.50 0.00 -1.18 0.00 0.00 32.58 29.06 3kw0 s HIS 99 CO -0.00 0.36 1.77 1.49 -0.65 0.00 0.00 174.74 177.71 3kw0 h GLU 100 N 5.15 0.65 -0.15 2.88 4.81 -0.79 -1.38 114.58 125.74 3kw0 h GLU 100 Ca -0.45 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 3kw0 h GLU 100 Cb 1.21 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3kw0 h GLU 100 CO 0.69 0.43 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.26 3kw0 h LEU 101 N 0.67 0.21 -1.52 1.64 3.38 -1.93 -2.76 115.31 115.00 3kw0 h LEU 101 Ca 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3kw0 h LEU 101 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kw0 h LEU 101 CO -0.33 0.31 0.00 0.18 0.09 0.00 0.00 178.44 178.69 3kw0 n LEU 102 N -4.34 2.29 0.09 1.67 4.77 -0.54 -4.33 117.00 116.61 3kw0 n LEU 102 Ca -0.01 -0.96 -0.03 0.00 -0.03 0.00 0.00 56.01 54.98 3kw0 n LEU 102 Cb 0.22 -0.15 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 3kw0 n LEU 102 CO 0.37 0.48 0.60 0.06 -1.33 0.00 0.00 177.39 177.57 3kw0 h GLN 103 N 3.01 0.25 -1.19 3.23 3.07 -1.30 -3.14 115.11 119.04 3kw0 h GLN 103 Ca 0.00 -0.13 -0.65 0.00 0.09 0.00 0.00 58.65 57.96 3kw0 h GLN 103 Cb 0.66 0.01 -0.34 0.00 0.08 0.00 0.00 27.48 27.89 3kw0 h GLN 103 CO 0.00 0.67 0.26 0.09 0.09 0.00 0.00 178.83 179.93 3kw0 n ASN 104 N -3.98 6.56 -3.80 0.06 4.13 -1.26 -4.92 115.26 112.05 3kw0 n ASN 104 Ca -0.02 -3.78 -0.21 0.00 1.68 0.00 0.00 54.58 52.25 3kw0 n ASN 104 Cb 0.52 -0.76 -0.17 0.00 -1.54 0.00 0.00 39.78 37.83 3kw0 n ASN 104 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kw0 s VAL 105 N -4.90 0.34 0.60 2.41 1.01 -1.19 -5.14 120.40 113.53 3kw0 s VAL 105 Ca 0.57 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 3kw0 s VAL 105 Cb 0.46 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 36.34 3kw0 s VAL 105 CO -0.10 0.22 1.05 0.54 0.00 0.00 0.00 175.10 176.82 3kw0 s ASN 106 N 1.55 5.81 0.64 3.32 4.22 -1.26 -4.93 114.94 124.29 3kw0 s ASN 106 Ca -0.02 1.77 0.29 0.00 -2.14 0.00 0.00 52.86 52.77 3kw0 s ASN 106 Cb -0.13 -2.53 1.57 0.00 1.28 0.00 0.00 41.25 41.45 3kw0 s ASN 106 CO -0.03 -1.15 1.92 0.44 -2.04 0.00 0.00 177.10 176.24 3kw0 h ASP 107 N 0.34 0.00 -0.24 3.54 5.19 -1.98 0.44 116.42 123.72 3kw0 h ASP 107 Ca -0.46 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.83 3kw0 h ASP 107 Cb 1.22 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.66 3kw0 h ASP 107 CO 0.58 0.00 -0.19 -0.90 -3.12 0.00 0.00 179.24 175.61 3kw0 n ASP 108 N -3.20 2.34 -4.61 6.45 5.75 -1.26 -4.76 116.55 117.25 3kw0 n ASP 108 Ca 0.01 -3.74 -0.30 0.00 -0.01 0.00 0.00 54.79 50.76 3kw0 n ASP 108 Cb 0.47 -0.59 0.19 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.71 2.29 0.00 -1.12 0.15 0.14 -4.89 113.70 107.56 3kw0 s SER 109 Ca 0.42 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.84 3kw0 s SER 109 Cb 0.39 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 3kw0 s SER 109 CO -0.01 -3.42 0.15 1.21 1.20 0.00 0.00 173.24 172.36 3kw0 n GLU 110 N -4.42 0.24 0.00 5.44 2.13 -1.26 -2.12 120.64 120.66 3kw0 n GLU 110 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3kw0 n GLU 110 Cb 0.54 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.07 3kw0 n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3kw0 n ILE 112 N 0.48 0.00 0.03 6.31 2.08 -1.26 -1.54 119.36 125.47 3kw0 n ILE 112 Ca 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 3kw0 n ILE 112 Cb 0.07 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.91 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 -0.09 -0.13 0.38 -0.00 -1.72 -2.02 114.38 110.80 3kw0 h ARG 113 Ca 0.00 0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 3kw0 h ARG 113 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.98 3kw0 h ARG 113 CO 0.00 -0.06 -0.34 -0.91 0.00 0.00 0.00 179.97 178.66 3kw0 h ASN 114 N -0.10 0.27 -0.24 7.04 2.35 -1.57 -0.06 115.58 123.27 3kw0 h ASN 114 Ca 0.04 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3kw0 h ASN 114 Cb 0.15 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3kw0 h ASN 114 CO -0.10 0.60 0.11 0.25 -1.65 0.00 0.00 177.43 176.64 3kw0 h LEU 115 N 0.23 0.31 -0.25 1.61 5.85 -1.78 -2.32 115.31 118.96 3kw0 h LEU 115 Ca 0.03 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3kw0 h LEU 115 Cb 0.72 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3kw0 h LEU 115 CO 0.05 0.35 0.08 0.40 -0.34 0.00 0.00 178.44 178.98 3kw0 h ILE 116 N 0.25 1.19 -0.52 4.05 5.03 -1.19 -2.76 117.51 123.56 3kw0 h ILE 116 Ca 0.08 -0.61 0.10 0.00 -0.12 0.00 0.00 64.86 64.31 3kw0 h ILE 116 Cb 0.12 1.13 -0.11 0.00 -3.03 0.00 0.00 36.82 34.93 3kw0 h ILE 116 CO -0.01 0.20 -0.32 0.50 -0.68 0.00 0.00 178.15 177.83 3kw0 h LYS 117 N 0.23 -0.18 -0.46 2.37 3.64 -0.94 0.16 116.57 121.40 3kw0 h LYS 117 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3kw0 h LYS 117 Cb 0.23 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3kw0 h LYS 117 CO -0.00 -0.12 0.26 0.28 -2.27 0.00 0.00 179.45 177.60 3kw0 h VAL 118 N -0.19 1.15 -0.22 2.00 2.07 -1.37 0.61 116.25 120.32 3kw0 h VAL 118 Ca 0.21 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kw0 h VAL 118 Cb 0.54 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kw0 h VAL 118 CO -0.63 0.16 0.08 1.23 0.02 0.00 0.00 177.57 178.44 3kw0 h GLY 119 N 0.60 0.27 0.70 2.17 0.00 -1.12 -2.17 103.07 103.52 3kw0 h GLY 119 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.51 3kw0 h GLY 119 CO -0.03 0.04 0.56 0.74 0.00 0.00 0.00 176.54 177.85 3kw0 h PHE 120 N 0.19 1.04 0.00 5.60 0.04 -0.21 -1.23 116.94 122.37 3kw0 h PHE 120 Ca 0.09 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3kw0 h PHE 120 Cb 0.05 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 3kw0 h PHE 120 CO -0.11 0.52 -0.05 0.66 -0.60 0.00 0.00 178.31 178.73 3kw0 h SER 121 N 1.02 0.00 0.17 2.17 4.64 -0.26 -2.37 113.55 118.92 3kw0 h SER 121 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3kw0 h SER 121 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3kw0 h SER 121 CO -0.18 0.05 -0.61 0.18 -0.87 0.00 0.00 176.83 175.40 3kw0 n LEU 122 N -3.51 1.13 -4.69 5.97 4.77 -0.50 -4.94 117.00 115.23 3kw0 n LEU 122 Ca -0.02 -0.39 -0.44 0.00 -0.03 0.00 0.00 56.01 55.13 3kw0 n LEU 122 Cb 0.16 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3kw0 n LEU 122 CO 0.27 0.24 1.32 0.18 -1.33 0.00 0.00 177.39 178.07 3kw0 n LEU 123 N -0.98 3.59 0.00 2.23 4.77 -0.89 -4.79 117.00 120.93 3kw0 n LEU 123 Ca 0.07 1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 57.01 3kw0 n LEU 123 Cb 0.37 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 3kw0 n LEU 123 CO 0.34 -0.03 -0.07 -0.46 -1.33 0.00 0.00 177.39 175.84 3kw0 n ASN 124 N 4.15 2.03 -2.06 -1.43 0.23 -0.80 -5.03 115.26 112.36 3kw0 n ASN 124 Ca 0.17 -1.71 -0.26 0.00 -0.53 0.00 0.00 54.58 52.25 3kw0 n ASN 124 Cb 0.32 0.18 0.07 0.00 -2.08 0.00 0.00 39.78 38.27 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 -1.33 5.77 0.00 0.53 7.64 -1.26 -4.69 113.62 120.28 3kw0 n SER 125 Ca -0.05 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.06 3kw0 n SER 125 Cb 0.20 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -0.85 1.42 3.84 0.23 0.00 -1.26 -5.00 105.19 103.57 3kw0 n GLY 126 Ca 0.51 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.67 3.56 0.93 1.61 2.02 0.58 -4.89 117.35 118.49 3kw0 s TYR 127 Ca 0.00 1.15 -0.13 0.00 -0.37 0.00 0.00 57.07 57.72 3kw0 s TYR 127 Cb 0.00 -2.45 0.15 0.00 -0.40 0.00 0.00 41.96 39.26 3kw0 s TYR 127 CO 0.00 0.33 1.16 0.16 -1.57 0.00 0.00 175.55 175.63 3kw0 s ASP 128 N -1.86 3.35 0.13 2.29 1.47 -1.26 -4.85 116.67 115.94 3kw0 s ASP 128 Ca 0.43 0.85 -0.19 0.00 1.18 0.00 0.00 52.55 54.82 3kw0 s ASP 128 Cb -0.14 -1.33 -0.02 0.00 -0.34 0.00 0.00 42.92 41.09 3kw0 s ASP 128 CO 0.20 -2.64 1.75 0.11 0.68 0.00 0.00 175.17 175.27 3kw0 h LYS 129 N -1.56 0.18 -0.61 2.11 1.57 -2.00 -2.24 116.57 114.02 3kw0 h LYS 129 Ca -0.49 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.39 3kw0 h LYS 129 Cb 1.32 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 3kw0 h LYS 129 CO 0.58 0.12 0.14 -0.97 -0.57 0.00 0.00 179.45 178.75 3kw0 h ASN 130 N 0.18 0.03 -0.17 0.86 -1.24 -2.00 -2.58 115.58 110.68 3kw0 h ASN 130 Ca 0.10 0.11 -0.16 0.00 0.71 0.00 0.00 56.30 57.06 3kw0 h ASN 130 Cb 0.07 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3kw0 h ASN 130 CO -0.11 0.02 -0.47 -0.33 -1.29 0.00 0.00 177.43 175.25 3kw0 h GLU 131 N 0.28 0.73 0.12 6.67 5.08 -1.80 -1.36 114.58 124.29 3kw0 h GLU 131 Ca 0.32 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kw0 h GLU 131 Cb 0.47 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3kw0 h GLU 131 CO -0.39 1.04 -0.09 0.82 -1.00 0.00 0.00 179.01 179.38 3kw0 h ILE 132 N 0.58 0.79 -0.62 3.13 2.04 -1.21 0.16 117.51 122.39 3kw0 h ILE 132 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3kw0 h ILE 132 Cb 1.03 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 3kw0 h ILE 132 CO 0.10 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.40 3kw0 h ALA 133 N 0.65 0.75 -0.58 1.87 0.00 -1.30 -0.41 119.26 120.23 3kw0 h ALA 133 Ca -0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kw0 h ALA 133 Cb 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kw0 h ALA 133 CO -0.01 -0.29 0.17 1.96 0.00 0.00 0.00 179.25 181.08 3kw0 h GLN 134 N 0.29 0.91 -0.11 0.00 4.20 -0.81 -0.78 115.11 118.81 3kw0 h GLN 134 Ca 0.32 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3kw0 h GLN 134 Cb 0.48 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3kw0 h GLN 134 CO -0.40 0.82 -0.02 0.82 -0.67 0.00 0.00 178.83 179.39 3kw0 h ILE 135 N 0.82 1.28 -0.48 2.54 2.04 0.03 -0.58 117.51 123.16 3kw0 h ILE 135 Ca 0.19 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 3kw0 h ILE 135 Cb 0.30 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3kw0 h ILE 135 CO -0.00 0.26 0.06 0.58 0.00 0.00 0.00 178.15 179.05 3kw0 h VAL 136 N -0.11 1.22 -0.43 1.67 2.07 -1.10 -2.09 116.25 117.49 3kw0 h VAL 136 Ca 0.03 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3kw0 h VAL 136 Cb 0.42 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3kw0 h VAL 136 CO 0.01 0.31 0.19 0.00 0.02 0.00 0.00 177.57 178.10 3kw0 h ALA 137 N 1.36 0.55 -0.59 1.67 0.00 -0.98 -2.69 119.26 118.57 3kw0 h ALA 137 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kw0 h ALA 137 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kw0 h ALA 137 CO 0.01 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.77 3kw0 h ARG 138 N 0.55 0.79 -0.06 0.00 3.08 -0.46 0.06 114.38 118.33 3kw0 h ARG 138 Ca 0.15 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3kw0 h ARG 138 Cb 0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3kw0 h ARG 138 CO -0.02 0.53 -0.05 0.82 -1.07 0.00 0.00 179.97 180.18 3kw0 h ILE 139 N 0.81 0.84 0.00 2.04 2.04 -1.23 0.03 117.51 122.04 3kw0 h ILE 139 Ca 0.22 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 3kw0 h ILE 139 Cb -0.07 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kw0 h ILE 139 CO -0.05 0.00 -0.40 1.23 0.00 0.00 0.00 178.15 178.94 3kw0 h GLY 140 N -0.07 0.00 0.84 5.37 0.00 -1.09 -2.62 103.07 105.51 3kw0 h GLY 140 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kw0 h GLY 140 CO -0.10 0.00 -0.18 1.04 0.00 0.00 0.00 176.54 177.29 3kw0 n LEU 141 N -3.94 0.57 -1.09 3.11 4.77 -0.04 -4.95 117.00 115.42 3kw0 n LEU 141 Ca -0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3kw0 n LEU 141 Cb 0.44 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3kw0 n LEU 141 CO 0.38 0.11 -0.12 0.61 -1.33 0.00 0.00 177.39 177.04 3kw0 n GLY 142 N 1.34 1.24 3.78 -0.72 0.00 -0.06 -4.99 105.19 105.79 3kw0 n GLY 142 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 4.42 0.79 -0.61 1.01 -0.82 -4.86 121.20 119.07 3kw0 s ILE 143 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 60.65 62.21 3kw0 s ILE 143 Cb 0.00 -4.08 0.17 0.00 0.01 0.00 0.00 42.46 38.56 3kw0 s ILE 143 CO 0.00 0.48 1.08 0.61 0.00 0.00 0.00 174.94 177.11 3kw0 n GLY 144 N 1.47 0.06 3.90 6.18 0.00 -1.26 -4.64 105.19 110.90 3kw0 n GLY 144 Ca -0.06 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 3kw0 n GLY 144 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kw0 s ARG 145 N -5.31 3.23 1.15 1.61 1.70 -1.26 -5.06 118.95 115.01 3kw0 s ARG 145 Ca 0.68 -0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 55.00 3kw0 s ARG 145 Cb -0.03 -2.81 0.17 0.00 -0.57 0.00 0.00 34.95 31.71 3kw0 s ARG 145 CO 0.46 0.47 0.28 -2.39 -1.08 0.00 0.00 175.30 173.04 3kw0 n HIS 146 N -0.81 -1.85 0.00 5.89 -0.00 -1.26 -4.96 115.22 112.23 3kw0 n HIS 146 Ca -0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 3kw0 n HIS 146 Cb 0.55 -1.51 0.00 0.00 -0.00 0.00 0.00 29.99 29.03 3kw0 n HIS 146 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kw0 n GLU 147 N -2.79 0.00 -2.76 -1.40 4.71 -1.26 -3.64 120.64 113.51 3kw0 n GLU 147 Ca 0.03 0.46 -0.29 0.00 -0.01 0.00 0.00 57.16 57.35 3kw0 n GLU 147 Cb 0.56 -1.29 -0.02 0.00 -1.01 0.00 0.00 31.44 29.68 3kw0 n GLU 147 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kw0 n ASP 148 N -1.64 5.06 -4.82 1.62 10.43 -1.26 -5.00 116.55 120.95 3kw0 n ASP 148 Ca 0.00 -3.70 -0.37 0.00 2.57 0.00 0.00 54.79 53.29 3kw0 n ASP 148 Cb 0.00 -0.64 -0.06 0.00 1.84 0.00 0.00 41.12 42.26 3kw0 n ASP 148 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kw0 s ASN 149 N -3.10 7.05 -0.34 -2.24 3.84 -1.24 -5.04 114.94 113.87 3kw0 s ASN 149 Ca 0.48 1.32 0.07 0.00 0.21 0.00 0.00 52.86 54.94 3kw0 s ASN 149 Cb 0.30 -2.38 0.57 0.00 -0.55 0.00 0.00 41.25 39.19 3kw0 s ASN 149 CO -0.16 0.15 1.63 0.59 -2.79 0.00 0.00 177.10 176.52 3kw0 n ASN 150 N 1.15 3.03 -4.43 -4.21 3.02 -1.26 -4.87 115.26 107.68 3kw0 n ASN 150 Ca -0.06 -3.69 -0.36 0.00 -0.03 0.00 0.00 54.58 50.44 3kw0 n ASN 150 Cb 0.51 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.84 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 -3.25 3.62 -0.09 3.52 2.02 -1.26 -5.04 118.70 118.22 3kw0 s GLU 151 Ca 0.49 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 55.02 3kw0 s GLU 151 Cb 0.43 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3kw0 s GLU 151 CO 0.04 -0.20 -0.21 0.71 0.02 0.00 0.00 175.26 175.63 3kw0 s TYR 152 N 1.60 2.22 0.50 1.61 2.02 -1.26 -4.94 117.35 119.10 3kw0 s TYR 152 Ca 0.06 -0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 55.69 3kw0 s TYR 152 Cb -0.15 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 39.83 3kw0 s TYR 152 CO 0.03 -0.36 1.11 0.42 -1.57 0.00 0.00 175.55 175.18 3kw0 s ILE 153 N 0.37 3.34 0.24 2.71 1.01 -1.26 -4.77 121.20 122.85 3kw0 s ILE 153 Ca -0.16 0.89 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 3kw0 s ILE 153 Cb -0.17 -3.39 0.32 0.00 0.01 0.00 0.00 42.46 39.23 3kw0 s ILE 153 CO 0.07 -0.13 1.59 0.00 0.00 0.00 0.00 174.94 176.47 3kw0 h SER 155 N -0.01 0.47 -0.62 0.00 4.64 -1.83 -2.37 113.55 113.84 3kw0 h SER 155 Ca 0.37 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.56 3kw0 h SER 155 Cb 0.58 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3kw0 h SER 155 CO -0.82 0.70 0.41 -0.33 -0.87 0.00 0.00 176.83 175.93 3kw0 h GLU 156 N 0.42 0.74 -0.10 4.77 5.08 -1.06 0.71 114.58 125.15 3kw0 h GLU 156 Ca 0.07 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3kw0 h GLU 156 Cb 0.63 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kw0 h GLU 156 CO 0.04 0.49 -0.29 0.35 -1.00 0.00 0.00 179.01 178.60 3kw0 h PHE 157 N 0.76 0.48 -0.83 4.33 3.57 -1.01 0.16 116.94 124.41 3kw0 h PHE 157 Ca 0.24 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kw0 h PHE 157 Cb 0.02 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3kw0 h PHE 157 CO -0.00 0.91 0.49 0.28 -2.23 0.00 0.00 178.31 177.76 3kw0 h VAL 158 N -0.09 1.23 -0.50 1.41 2.07 -1.32 -2.64 116.25 116.41 3kw0 h VAL 158 Ca -0.01 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3kw0 h VAL 158 Cb 0.91 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3kw0 h VAL 158 CO 0.06 0.24 0.01 -1.13 0.02 0.00 0.00 177.57 176.77 3kw0 h ASN 159 N 1.14 0.86 -0.72 0.57 -1.24 -0.67 -2.67 115.58 112.85 3kw0 h ASN 159 Ca 0.30 -0.30 0.03 0.00 0.71 0.00 0.00 56.30 57.03 3kw0 h ASN 159 Cb -0.04 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 3kw0 h ASN 159 CO -0.05 0.95 0.46 -0.33 -1.29 0.00 0.00 177.43 177.17 3kw0 h GLU 160 N 0.74 0.88 0.03 6.67 4.39 -0.69 0.15 114.58 126.75 3kw0 h GLU 160 Ca 0.14 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3kw0 h GLU 160 Cb 0.51 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3kw0 h GLU 160 CO 0.02 0.58 -0.02 0.00 -1.16 0.00 0.00 179.01 178.44 3kw0 h PHE 162 N -0.14 0.53 -0.45 0.00 -1.00 -1.34 -3.04 116.94 111.50 3kw0 h PHE 162 Ca -0.00 -0.12 0.06 0.00 2.81 0.00 0.00 57.97 60.71 3kw0 h PHE 162 Cb 0.13 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 3kw0 h PHE 162 CO -0.04 0.72 0.16 -0.22 -1.61 0.00 0.00 178.31 177.31 3kw0 h LYS 163 N 0.41 0.32 -0.23 1.51 3.64 -0.50 -1.26 116.57 120.47 3kw0 h LYS 163 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kw0 h LYS 163 Cb 0.72 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3kw0 h LYS 163 CO 0.06 0.21 0.00 1.63 -2.27 0.00 0.00 179.45 179.08 3kw0 n LYS 164 N -5.01 0.99 -0.10 1.90 4.76 -0.78 -1.06 118.16 118.85 3kw0 n LYS 164 Ca 0.04 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.54 3kw0 n LYS 164 Cb 0.17 -1.11 0.08 0.00 -1.84 0.00 0.00 35.03 32.33 3kw0 n LYS 164 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3kw0 n ILE 165 N -0.38 1.33 0.00 -0.18 -5.35 -0.68 -4.90 119.36 109.20 3kw0 n ILE 165 Ca 0.00 -1.55 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 3kw0 n ILE 165 Cb 0.06 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.95 3.20 3.60 3.28 0.00 -0.22 -5.04 105.19 109.06 3kw0 n GLY 166 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.66 3.98 0.06 1.61 1.01 -0.56 -4.91 120.40 118.92 3kw0 s VAL 167 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 3kw0 s VAL 167 Cb 0.00 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3kw0 s VAL 167 CO 0.00 -0.78 0.31 -1.83 0.00 0.00 0.00 175.10 172.80 3kw0 s GLU 168 N 4.79 3.61 0.00 2.72 1.03 -1.26 -2.93 118.70 126.66 3kw0 s GLU 168 Ca 0.58 -0.07 0.00 0.00 0.03 0.00 0.00 54.97 55.51 3kw0 s GLU 168 Cb -0.13 -3.01 0.00 0.00 -0.80 0.00 0.00 34.13 30.20 3kw0 s GLU 168 CO 0.32 0.59 0.00 1.19 -1.33 0.00 0.00 175.26 176.02 3kw0 n PHE 169 N 0.76 0.00 0.00 4.83 3.72 -1.26 -5.07 117.46 120.43 3kw0 n PHE 169 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3kw0 n PHE 169 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3kw0 n PHE 169 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kw0 n PHE 176 N -1.30 0.00 -3.62 1.38 -0.00 -1.26 -5.03 117.46 107.63 3kw0 n PHE 176 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 3kw0 n PHE 176 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 3kw0 n PHE 176 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 3kw0 s ILE 177 N 0.00 -0.62 0.37 -2.13 2.07 -1.26 -5.09 121.20 114.55 3kw0 s ILE 177 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 3kw0 s ILE 177 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3kw0 s ILE 177 CO 0.00 0.00 0.38 -0.36 -1.91 0.00 0.00 174.94 173.05 3kw0 s PHE 178 N 2.42 2.85 0.38 3.50 0.08 -1.26 -4.15 117.98 121.80 3kw0 s PHE 178 Ca -0.07 -0.37 0.15 0.00 0.12 0.00 0.00 56.93 56.76 3kw0 s PHE 178 Cb -0.09 -2.03 1.00 0.00 -0.57 0.00 0.00 43.02 41.33 3kw0 s PHE 178 CO -0.19 -0.03 1.79 -1.35 -0.10 0.00 0.00 175.22 175.35 3kw0 h PRO 179 N 1.05 0.48 -0.68 0.24 0.11 -1.91 -1.60 132.00 129.68 3kw0 h PRO 179 Ca -0.43 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.79 3kw0 h PRO 179 Cb 1.26 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3kw0 h PRO 179 CO 0.55 0.32 0.17 1.49 -0.21 0.00 0.00 178.00 180.32 3kw0 h GLU 180 N 0.49 0.28 -0.42 1.05 4.57 -1.93 0.19 114.58 118.82 3kw0 h GLU 180 Ca 0.56 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.72 3kw0 h GLU 180 Cb 1.26 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3kw0 h GLU 180 CO -0.29 0.18 0.24 1.25 -1.18 0.00 0.00 179.01 179.21 3kw0 h HIS 181 N 0.28 0.54 -0.03 0.92 2.76 -1.68 0.15 115.15 118.09 3kw0 h HIS 181 Ca 0.37 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.49 3kw0 h HIS 181 Cb 0.58 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3kw0 h HIS 181 CO -0.25 0.38 -0.16 0.82 -1.30 0.00 0.00 177.93 177.41 3kw0 h ILE 182 N 0.57 1.48 -0.95 6.26 2.04 -1.12 -2.88 117.51 122.91 3kw0 h ILE 182 Ca 0.15 -1.65 0.03 0.00 1.00 0.00 0.00 64.86 64.39 3kw0 h ILE 182 Cb 0.00 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3kw0 h ILE 182 CO -0.03 0.45 0.63 0.00 0.00 0.00 0.00 178.15 179.20 3kw0 h ALA 183 N 0.38 1.38 0.00 1.87 0.00 -0.44 -2.76 119.26 119.68 3kw0 h ALA 183 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kw0 h ALA 183 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kw0 h ALA 183 CO 0.03 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3kw0 n ALA 184 N -2.39 2.26 -1.84 0.00 0.00 0.46 -4.76 120.51 114.25 3kw0 n ALA 184 Ca 0.12 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3kw0 n ALA 184 Cb 0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 3kw0 n ALA 184 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kw0 s ASP 185 N -3.98 6.49 0.58 0.00 -1.08 -1.04 -4.85 116.67 112.79 3kw0 s ASP 185 Ca 0.11 2.74 0.28 0.00 -0.52 0.00 0.00 52.55 55.17 3kw0 s ASP 185 Cb 0.14 -2.60 1.55 0.00 -1.46 0.00 0.00 42.92 40.55 3kw0 s ASP 185 CO 0.56 -0.88 2.00 1.12 0.52 0.00 0.00 175.17 178.48 3kw0 h HIS 186 N 6.60 0.00 -0.16 -5.34 -0.00 -1.90 -1.33 115.15 113.01 3kw0 h HIS 186 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 3kw0 h HIS 186 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3kw0 h HIS 186 CO 0.64 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 179.29 3kw0 n HIS 187 N -3.82 0.20 -3.68 6.12 8.25 -1.26 -4.82 115.22 116.21 3kw0 n HIS 187 Ca 0.05 -0.10 -0.38 0.00 -0.26 0.00 0.00 57.72 57.03 3kw0 n HIS 187 Cb 0.51 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.80 4.51 -0.19 1.59 1.01 -0.50 0.03 120.40 125.04 3kw0 s VAL 188 Ca 0.34 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3kw0 s VAL 188 Cb 0.19 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3kw0 s VAL 188 CO 0.29 0.10 0.02 -0.76 0.00 0.00 0.00 175.10 174.75 3kw0 s LEU 189 N 1.60 3.45 0.42 3.92 1.43 0.20 -4.83 118.68 124.88 3kw0 s LEU 189 Ca 0.05 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 3kw0 s LEU 189 Cb -0.17 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 3kw0 s LEU 189 CO 0.06 0.10 1.31 -2.84 0.23 0.00 0.00 176.35 175.21 3kw0 s PRO 190 N 0.80 3.87 -0.09 1.29 0.02 -1.26 -1.22 135.00 138.40 3kw0 s PRO 190 Ca 0.02 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.16 3kw0 s PRO 190 Cb -0.14 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 3kw0 s PRO 190 CO 0.02 -0.58 -0.12 -0.89 -0.33 0.00 0.00 177.00 175.10 3kw0 n ILE 191 N -0.02 0.53 -3.57 2.83 5.41 -0.10 -4.87 119.36 119.56 3kw0 n ILE 191 Ca 0.04 -0.13 -0.10 0.00 1.00 0.00 0.00 62.75 63.57 3kw0 n ILE 191 Cb 0.44 -1.63 -0.05 0.00 -0.71 0.00 0.00 39.64 37.69 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 -2.17 -1.92 0.06 -1.39 0.00 -1.08 -4.66 121.76 110.60 3kw0 s ALA 192 Ca -0.13 1.52 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 3kw0 s ALA 192 Cb 0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 3kw0 s ALA 192 CO 0.17 -0.35 0.54 -1.14 0.00 0.00 0.00 175.76 174.97 3kw0 s GLN 193 N -1.34 4.13 -0.15 0.00 0.74 -0.69 0.01 119.66 122.36 3kw0 s GLN 193 Ca -0.01 0.66 -0.24 0.00 0.05 0.00 0.00 55.36 55.82 3kw0 s GLN 193 Cb -0.00 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.86 3kw0 s GLN 193 CO 0.01 0.64 0.76 0.42 -0.55 0.00 0.00 175.29 176.57 3kw0 s ILE 194 N -1.12 4.94 -1.83 -2.34 1.01 -0.14 -1.12 121.20 120.59 3kw0 s ILE 194 Ca 0.28 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.44 3kw0 s ILE 194 Cb -0.19 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3kw0 s ILE 194 CO 0.18 0.09 0.46 1.21 0.00 0.00 0.00 174.94 176.88