#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ixt s ALA 2 N 0.00 3.41 0.58 2.89 0.00 -1.26 -4.86 121.76 122.53 2ixt s ALA 2 Ca 0.00 -1.48 0.28 0.00 0.00 0.00 0.00 51.96 50.76 2ixt s ALA 2 Cb 0.00 -3.11 1.53 0.00 0.00 0.00 0.00 23.12 21.54 2ixt s ALA 2 CO 0.00 -1.65 1.99 0.77 0.00 0.00 0.00 175.76 176.88 2ixt h SER 3 N 8.77 0.00 -3.21 0.00 0.02 -1.99 -3.39 113.55 113.75 2ixt h SER 3 Ca -0.26 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 2ixt h SER 3 Cb 1.11 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.38 2ixt h SER 3 CO 0.82 0.00 -0.29 -1.58 -1.14 0.00 0.00 176.83 174.64 2ixt s GLN 4 N -4.70 0.40 -0.08 3.45 0.74 -1.26 -5.07 119.66 113.13 2ixt s GLN 4 Ca -0.05 0.80 0.18 0.00 0.05 0.00 0.00 55.36 56.34 2ixt s GLN 4 Cb 0.16 -0.02 -0.23 0.00 1.10 0.00 0.00 33.01 34.02 2ixt s GLN 4 CO 0.59 -0.16 0.42 1.04 -0.55 0.00 0.00 175.29 176.62 2ixt n GLN 5 N 4.28 0.66 -3.81 1.67 6.02 -1.26 -4.69 117.38 120.25 2ixt n GLN 5 Ca -0.23 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 2ixt n GLN 5 Cb 0.55 -1.63 -0.14 0.00 1.02 0.00 0.00 30.24 30.05 2ixt n GLN 5 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ixt s ILE 6 N -2.81 1.77 1.02 5.09 -1.09 -1.26 -1.73 121.20 122.18 2ixt s ILE 6 Ca -0.07 -2.62 -0.11 0.00 -2.23 0.00 0.00 60.65 55.61 2ixt s ILE 6 Cb 0.08 -2.25 0.20 0.00 -1.58 0.00 0.00 42.46 38.92 2ixt s ILE 6 CO 0.84 -0.81 1.09 -2.84 -1.23 0.00 0.00 174.94 171.98 2ixt s PRO 7 N 0.36 0.22 0.31 2.79 0.02 -1.26 -4.72 135.00 132.73 2ixt s PRO 7 Ca 0.16 1.17 0.02 0.00 0.02 0.00 0.00 61.00 62.37 2ixt s PRO 7 Cb -0.24 -1.66 0.59 0.00 0.02 0.00 0.00 34.50 33.21 2ixt s PRO 7 CO -0.03 -3.05 1.91 0.11 -0.33 0.00 0.00 177.00 175.61 2ixt h TRP 8 N -2.16 0.99 -0.02 6.54 5.08 -1.95 -1.57 115.95 122.86 2ixt h TRP 8 Ca -0.52 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 59.35 2ixt h TRP 8 Cb 1.30 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.12 2ixt h TRP 8 CO 0.40 0.50 -0.58 0.78 -1.28 0.00 0.00 178.44 178.25 2ixt h GLY 9 N 0.96 0.08 0.86 11.11 0.00 -1.92 0.06 103.07 114.22 2ixt h GLY 9 Ca 0.39 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2ixt h GLY 9 CO -0.15 0.09 -0.03 -2.22 0.00 0.00 0.00 176.54 174.23 2ixt h ILE 10 N 0.05 1.27 -0.89 2.60 1.08 -1.65 -1.08 117.51 118.90 2ixt h ILE 10 Ca -0.01 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.50 2ixt h ILE 10 Cb 1.05 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 36.12 2ixt h ILE 10 CO 0.08 0.31 0.58 0.11 -0.69 0.00 0.00 178.15 178.54 2ixt h LYS 11 N 0.26 1.09 -0.28 2.37 1.57 -1.15 -1.09 116.57 119.33 2ixt h LYS 11 Ca 0.07 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2ixt h LYS 11 Cb 0.48 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ixt h LYS 11 CO 0.02 0.72 0.02 0.00 -0.57 0.00 0.00 179.45 179.63 2ixt h ALA 12 N 1.37 0.38 0.00 3.86 0.00 -0.80 0.19 119.26 124.26 2ixt h ALA 12 Ca 0.36 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2ixt h ALA 12 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2ixt h ALA 12 CO -0.12 0.11 -0.55 0.97 0.00 0.00 0.00 179.25 179.66 2ixt h ILE 13 N 0.29 1.30 -0.00 0.00 2.10 -1.01 -1.82 117.51 118.36 2ixt h ILE 13 Ca 0.08 -1.93 0.00 0.00 1.08 0.00 0.00 64.86 64.09 2ixt h ILE 13 Cb 0.40 2.07 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2ixt h ILE 13 CO 0.01 0.53 -0.04 -1.22 -1.08 0.00 0.00 178.15 176.36 2ixt n TYR 14 N -3.75 0.00 -3.90 2.19 4.02 -0.43 -1.78 117.16 113.51 2ixt n TYR 14 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.62 2ixt n TYR 14 Cb 0.58 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2ixt n TYR 14 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2ixt n ASN 15 N -1.45 -1.46 -3.40 7.72 5.15 -0.03 -4.78 115.26 117.01 2ixt n ASN 15 Ca 0.08 -0.92 -0.15 0.00 -0.60 0.00 0.00 54.58 53.00 2ixt n ASN 15 Cb 0.32 -3.44 -0.10 0.00 -0.53 0.00 0.00 39.78 36.03 2ixt n ASN 15 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ixt s ASN 16 N -4.12 1.15 0.28 1.20 3.84 -0.70 -5.02 114.94 111.56 2ixt s ASN 16 Ca 0.16 -0.37 0.24 0.00 0.21 0.00 0.00 52.86 53.10 2ixt s ASN 16 Cb -0.09 0.68 1.03 0.00 -0.55 0.00 0.00 41.25 42.33 2ixt s ASN 16 CO 0.86 -0.35 1.72 -0.67 -2.79 0.00 0.00 177.10 175.87 2ixt n ASP 17 N 5.33 0.69 -0.34 -4.21 2.03 -1.26 -2.57 116.55 116.21 2ixt n ASP 17 Ca -0.03 0.69 0.09 0.00 0.52 0.00 0.00 54.79 56.06 2ixt n ASP 17 Cb 0.48 -0.83 0.18 0.00 -0.72 0.00 0.00 41.12 40.23 2ixt n ASP 17 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2ixt n THR 18 N -2.28 2.03 -1.66 5.18 -2.24 -1.26 -5.04 114.28 109.01 2ixt n THR 18 Ca 0.02 -2.29 -0.46 0.00 -2.27 0.00 0.00 64.05 59.05 2ixt n THR 18 Cb 0.21 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 2ixt n THR 18 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ixt n LEU 19 N -1.20 2.97 -0.00 3.22 7.94 -1.06 -4.91 117.00 123.96 2ixt n LEU 19 Ca 0.18 1.12 0.05 0.00 -1.11 0.00 0.00 56.01 56.26 2ixt n LEU 19 Cb 0.72 -1.41 -0.07 0.00 0.53 0.00 0.00 43.42 43.19 2ixt n LEU 19 CO 0.04 -0.49 -0.39 0.35 -1.11 0.00 0.00 177.39 175.79 2ixt n THR 20 N 2.35 0.00 -3.46 1.96 -2.24 -1.26 -4.89 114.28 106.73 2ixt n THR 20 Ca 0.14 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 2ixt n THR 20 Cb 0.30 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 2ixt n THR 20 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ixt s SER 21 N -2.74 -0.52 0.48 3.42 1.04 -1.26 -4.92 113.70 109.20 2ixt s SER 21 Ca -0.01 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.48 2ixt s SER 21 Cb 0.07 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2ixt s SER 21 CO 0.44 -0.93 0.50 0.42 0.98 0.00 0.00 173.24 174.65 2ixt s THR 22 N -3.61 2.34 0.11 2.02 -4.23 -1.26 -5.15 115.64 105.85 2ixt s THR 22 Ca 0.01 -1.26 -0.19 0.00 -1.18 0.00 0.00 61.69 59.07 2ixt s THR 22 Cb -0.01 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2ixt s THR 22 CO -0.12 0.00 0.46 0.28 -0.54 0.00 0.00 174.62 174.70 2ixt s THR 23 N -2.57 0.05 0.00 3.99 -1.32 -1.26 -4.84 115.64 109.68 2ixt s THR 23 Ca 0.48 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2ixt s THR 23 Cb -0.04 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2ixt s THR 23 CO 0.29 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2ixt n GLY 24 N -0.04 1.98 0.00 6.08 0.00 -1.26 -4.53 105.19 107.41 2ixt n GLY 24 Ca -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2ixt n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ixt n GLY 25 N 0.96 0.70 3.69 -0.02 0.00 -1.26 -0.92 105.19 108.34 2ixt n GLY 25 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2ixt n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ixt n SER 26 N 0.00 3.07 0.00 1.61 2.88 -1.25 -1.83 113.62 118.10 2ixt n SER 26 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2ixt n SER 26 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 2ixt n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ixt n GLY 27 N 2.17 2.39 3.78 0.46 0.00 -1.26 -4.67 105.19 108.06 2ixt n GLY 27 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2ixt n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ixt s ILE 28 N -2.92 5.19 -0.14 -0.61 -1.09 -0.76 -4.43 121.20 116.44 2ixt s ILE 28 Ca 0.00 0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 59.02 2ixt s ILE 28 Cb 0.00 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2ixt s ILE 28 CO 0.00 0.46 0.28 0.20 -1.23 0.00 0.00 174.94 174.66 2ixt s ASN 29 N -0.20 6.47 -0.33 3.58 0.01 -0.40 -1.11 114.94 122.97 2ixt s ASN 29 Ca 0.21 0.55 -0.06 0.00 -0.71 0.00 0.00 52.86 52.85 2ixt s ASN 29 Cb -0.15 -2.17 0.03 0.00 0.41 0.00 0.00 41.25 39.37 2ixt s ASN 29 CO 0.09 0.17 0.09 -0.63 -1.51 0.00 0.00 177.10 175.31 2ixt s ILE 30 N 0.09 3.81 -0.52 0.60 1.01 0.48 -0.62 121.20 126.05 2ixt s ILE 30 Ca 0.17 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 2ixt s ILE 30 Cb -0.13 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.28 2ixt s ILE 30 CO 0.05 -0.11 0.81 0.00 0.00 0.00 0.00 174.94 175.69 2ixt s ALA 31 N 1.43 3.25 -0.50 9.38 0.00 0.70 -0.94 121.76 135.08 2ixt s ALA 31 Ca -0.01 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 2ixt s ALA 31 Cb -0.19 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 19.41 2ixt s ALA 31 CO 0.03 -2.19 0.69 0.08 0.00 0.00 0.00 175.76 174.37 2ixt s VAL 32 N 3.41 4.76 -0.53 0.00 1.01 -0.02 -0.46 120.40 128.56 2ixt s VAL 32 Ca 0.25 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 2ixt s VAL 32 Cb -0.15 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 31.98 2ixt s VAL 32 CO 0.17 -0.83 0.63 -0.76 0.00 0.00 0.00 175.10 174.31 2ixt s LEU 33 N 2.94 5.18 0.00 3.92 1.02 -0.87 -1.66 118.68 129.21 2ixt s LEU 33 Ca 0.20 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.21 2ixt s LEU 33 Cb -0.17 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.67 2ixt s LEU 33 CO 0.15 -0.95 0.00 -0.67 0.02 0.00 0.00 176.35 174.90 2ixt n ASP 34 N 6.14 0.00 -0.26 2.29 -0.08 -0.45 -4.30 116.55 119.89 2ixt n ASP 34 Ca -0.08 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.22 2ixt n ASP 34 Cb 0.44 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.95 2ixt n ASP 34 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2ixt n THR 35 N 0.00 0.18 0.00 5.18 -2.24 -1.26 -0.53 114.28 115.61 2ixt n THR 35 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2ixt n THR 35 Cb 0.00 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2ixt n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ixt n GLY 36 N 0.62 -2.65 3.16 3.38 0.00 -1.26 -3.99 105.19 104.45 2ixt n GLY 36 Ca 0.04 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 2ixt n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ixt s VAL 37 N -0.48 0.68 -1.15 1.61 -7.23 0.04 -3.12 120.40 110.75 2ixt s VAL 37 Ca 0.00 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 2ixt s VAL 37 Cb 0.00 -1.56 0.15 0.00 0.56 0.00 0.00 36.38 35.52 2ixt s VAL 37 CO 0.00 -0.82 1.40 0.20 -0.31 0.00 0.00 175.10 175.57 2ixt s ASN 38 N -2.88 6.93 0.00 4.85 -0.87 -1.26 -2.65 114.94 119.06 2ixt s ASN 38 Ca 0.09 -2.67 0.12 0.00 -1.57 0.00 0.00 52.86 48.84 2ixt s ASN 38 Cb 0.04 -2.43 0.67 0.00 -0.02 0.00 0.00 41.25 39.51 2ixt s ASN 38 CO -0.04 -0.89 1.26 0.41 -2.57 0.00 0.00 177.10 175.27 2ixt n THR 39 N 5.09 0.43 0.53 1.60 -1.04 -1.26 -1.63 114.28 118.00 2ixt n THR 39 Ca 0.35 0.11 0.08 0.00 -2.04 0.00 0.00 64.05 62.54 2ixt n THR 39 Cb 0.45 -0.90 0.08 0.00 -1.82 0.00 0.00 70.33 68.14 2ixt n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2ixt n SER 40 N -1.18 2.41 -4.55 8.00 7.64 -1.26 -3.95 113.62 120.74 2ixt n SER 40 Ca 0.07 -1.69 -0.52 0.00 1.01 0.00 0.00 58.87 57.75 2ixt n SER 40 Cb 0.08 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 2ixt n SER 40 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2ixt n HIS 41 N 0.87 1.04 0.14 1.43 -0.00 -0.65 -4.68 115.22 113.37 2ixt n HIS 41 Ca 0.10 0.78 0.16 0.00 -0.00 0.00 0.00 57.72 58.76 2ixt n HIS 41 Cb 0.40 -2.22 0.74 0.00 -0.00 0.00 0.00 29.99 28.91 2ixt n HIS 41 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2ixt h PRO 42 N 3.33 0.00 -0.01 1.57 0.13 -1.94 -0.46 132.00 134.62 2ixt h PRO 42 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2ixt h PRO 42 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2ixt h PRO 42 CO 0.69 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.14 2ixt n ASP 43 N -4.18 1.46 -0.00 1.44 10.43 -1.26 -4.03 116.55 120.40 2ixt n ASP 43 Ca 0.03 -1.37 -0.00 0.00 2.57 0.00 0.00 54.79 56.02 2ixt n ASP 43 Cb 0.37 0.04 -0.01 0.00 1.84 0.00 0.00 41.12 43.36 2ixt n ASP 43 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2ixt n LEU 44 N 0.02 0.00 -0.06 0.64 4.77 -0.53 -1.59 117.00 120.26 2ixt n LEU 44 Ca 0.17 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.31 2ixt n LEU 44 Cb 0.37 0.02 0.59 0.00 -2.33 0.00 0.00 43.42 42.07 2ixt n LEU 44 CO 0.19 0.02 1.19 1.62 -1.33 0.00 0.00 177.39 179.08 2ixt h VAL 45 N 0.00 0.80 0.00 4.08 3.04 -1.26 0.39 116.25 123.31 2ixt h VAL 45 Ca -0.02 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2ixt h VAL 45 Cb 0.72 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2ixt h VAL 45 CO 0.00 0.04 0.00 0.78 -1.01 0.00 0.00 177.57 177.38 2ixt h ASN 46 N 0.22 0.00 0.00 3.17 2.35 -1.86 -3.26 115.58 116.20 2ixt h ASN 46 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2ixt h ASN 46 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2ixt h ASN 46 CO -0.05 0.00 -0.92 0.59 -1.65 0.00 0.00 177.43 175.40 2ixt n ASN 47 N -2.48 1.29 -4.62 5.81 3.02 0.08 -4.98 115.26 113.37 2ixt n ASN 47 Ca 0.02 -0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 53.69 2ixt n ASN 47 Cb 0.28 1.21 -0.02 0.00 -0.61 0.00 0.00 39.78 40.63 2ixt n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ixt s VAL 48 N -2.34 3.69 -0.07 2.41 0.11 -0.93 -0.40 120.40 122.88 2ixt s VAL 48 Ca 0.01 0.77 0.03 0.00 -2.93 0.00 0.00 61.98 59.86 2ixt s VAL 48 Cb 0.08 -3.75 -0.07 0.00 -1.53 0.00 0.00 36.38 31.11 2ixt s VAL 48 CO 0.46 -0.35 -0.03 1.21 -3.33 0.00 0.00 175.10 173.06 2ixt n GLU 49 N 7.79 1.55 -4.23 1.54 2.13 0.02 -4.93 120.64 124.52 2ixt n GLU 49 Ca 0.19 0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.84 2ixt n GLU 49 Cb 0.46 -1.17 -0.12 0.00 0.27 0.00 0.00 31.44 30.89 2ixt n GLU 49 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2ixt s GLN 50 N -2.16 0.97 -0.28 5.31 -0.21 -0.93 -5.01 119.66 117.34 2ixt s GLN 50 Ca -0.07 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.18 2ixt s GLN 50 Cb 0.02 -0.96 0.15 0.00 1.00 0.00 0.00 33.01 33.23 2ixt s GLN 50 CO 0.23 0.20 0.39 0.00 -2.12 0.00 0.00 175.29 173.99 2ixt s LYS 52 N 2.52 0.42 -0.10 0.00 1.02 -0.49 -0.37 119.74 122.73 2ixt s LYS 52 Ca 0.10 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.43 2ixt s LYS 52 Cb -0.13 -0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.10 2ixt s LYS 52 CO -0.28 -0.01 -0.22 0.34 -0.92 0.00 0.00 175.35 174.27 2ixt s ASP 53 N -1.56 3.28 0.00 2.83 3.68 -0.13 -0.51 116.67 124.26 2ixt s ASP 53 Ca -0.13 -0.51 0.10 0.00 2.13 0.00 0.00 52.55 54.15 2ixt s ASP 53 Cb -0.10 -1.43 0.17 0.00 -1.45 0.00 0.00 42.92 40.11 2ixt s ASP 53 CO -0.01 0.16 1.00 0.49 0.13 0.00 0.00 175.17 176.95 2ixt n PHE 54 N 3.50 0.18 0.77 -5.34 3.72 0.45 -0.87 117.46 119.86 2ixt n PHE 54 Ca -0.19 -0.21 0.12 0.00 -0.05 0.00 0.00 57.45 57.13 2ixt n PHE 54 Cb 0.53 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 39.20 2ixt n PHE 54 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2ixt n THR 55 N 0.53 0.17 -3.03 4.37 -2.24 -1.24 -4.72 114.28 108.12 2ixt n THR 55 Ca 0.08 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2ixt n THR 55 Cb 0.33 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2ixt n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ixt n GLY 56 N 1.41 2.08 0.23 3.38 0.00 -1.26 -5.02 105.19 106.01 2ixt n GLY 56 Ca 0.16 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.17 2ixt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ixt h ALA 57 N 0.48 0.97 -2.14 4.61 0.00 -1.97 -3.42 119.26 117.80 2ixt h ALA 57 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.40 2ixt h ALA 57 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 2ixt h ALA 57 CO 0.00 0.11 -0.65 0.95 0.00 0.00 0.00 179.25 179.65 2ixt s THR 58 N -3.40 1.24 -0.12 0.00 -4.23 -1.26 -5.18 115.64 102.69 2ixt s THR 58 Ca 0.04 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 2ixt s THR 58 Cb 0.07 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.51 2ixt s THR 58 CO 0.63 -0.26 0.48 0.28 -0.54 0.00 0.00 174.62 175.21 2ixt s THR 59 N -3.28 0.01 0.86 3.99 -1.32 -1.26 -4.28 115.64 110.37 2ixt s THR 59 Ca 0.30 -0.11 -0.10 0.00 -1.21 0.00 0.00 61.69 60.56 2ixt s THR 59 Cb 0.06 -0.72 0.11 0.00 -1.51 0.00 0.00 72.50 70.43 2ixt s THR 59 CO 0.11 -0.06 1.12 -2.84 -2.21 0.00 0.00 174.62 170.73 2ixt s PRO 60 N -0.36 1.51 -0.36 7.08 0.02 -1.26 -5.11 135.00 136.51 2ixt s PRO 60 Ca -0.05 1.35 -0.10 0.00 0.02 0.00 0.00 61.00 62.21 2ixt s PRO 60 Cb -0.03 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.71 2ixt s PRO 60 CO 0.03 -2.23 0.18 0.42 -0.33 0.00 0.00 177.00 175.08 2ixt s ILE 61 N -2.76 4.48 0.59 2.83 1.01 -0.05 -4.96 121.20 122.33 2ixt s ILE 61 Ca 0.64 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 2ixt s ILE 61 Cb -0.20 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2ixt s ILE 61 CO 0.57 -0.16 1.04 0.21 0.00 0.00 0.00 174.94 176.60 2ixt s ASN 62 N 1.55 5.97 -1.43 3.58 2.47 -1.26 -0.95 114.94 124.87 2ixt s ASN 62 Ca 0.02 1.70 -0.10 0.00 0.42 0.00 0.00 52.86 54.90 2ixt s ASN 62 Cb -0.19 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.14 2ixt s ASN 62 CO 0.06 -1.04 1.05 0.59 -3.72 0.00 0.00 177.10 174.04 2ixt n ASN 63 N -2.12 -5.02 -3.66 -4.21 3.02 0.50 -4.92 115.26 98.85 2ixt n ASN 63 Ca 0.08 -0.68 -0.07 0.00 -0.03 0.00 0.00 54.58 53.88 2ixt n ASN 63 Cb 0.53 -4.44 -0.08 0.00 -0.61 0.00 0.00 39.78 35.18 2ixt n ASN 63 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ixt s SER 64 N -3.46 -0.64 -0.28 6.41 0.15 -0.89 -4.99 113.70 110.00 2ixt s SER 64 Ca 0.54 1.18 0.06 0.00 0.70 0.00 0.00 55.95 58.44 2ixt s SER 64 Cb -0.26 1.40 0.23 0.00 -1.71 0.00 0.00 66.02 65.69 2ixt s SER 64 CO 0.78 -0.22 1.17 0.00 1.20 0.00 0.00 173.24 176.17 2ixt s THR 66 N 0.10 3.50 -0.17 0.00 2.01 -1.26 -0.78 115.64 119.03 2ixt s THR 66 Ca 0.09 0.60 -0.23 0.00 0.31 0.00 0.00 61.69 62.46 2ixt s THR 66 Cb 0.25 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2ixt s THR 66 CO -0.06 -0.06 0.72 -0.62 -0.69 0.00 0.00 174.62 173.90 2ixt s ASP 67 N 3.61 6.82 0.00 3.53 3.68 -1.08 -4.63 116.67 128.60 2ixt s ASP 67 Ca 0.76 1.01 0.05 0.00 2.13 0.00 0.00 52.55 56.49 2ixt s ASP 67 Cb -0.34 -2.40 0.11 0.00 -1.45 0.00 0.00 42.92 38.83 2ixt s ASP 67 CO 0.31 -0.31 0.99 0.54 0.13 0.00 0.00 175.17 176.83 2ixt n ARG 68 N 5.00 2.10 -0.05 4.34 1.74 -1.26 -4.77 116.66 123.77 2ixt n ARG 68 Ca 0.01 -1.49 -0.11 0.00 -0.77 0.00 0.00 57.85 55.49 2ixt n ARG 68 Cb 0.49 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 2ixt n ARG 68 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ixt n ASN 69 N 0.01 1.06 0.00 0.55 2.85 -1.26 -5.03 115.26 113.44 2ixt n ASN 69 Ca 0.04 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2ixt n ASN 69 Cb 0.27 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.88 2ixt n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ixt n GLY 70 N 2.33 1.64 0.16 8.20 0.00 -1.26 -4.88 105.19 111.38 2ixt n GLY 70 Ca -0.19 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 2ixt n GLY 70 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ixt h HIS 71 N 0.00 0.06 -0.54 1.61 6.17 -1.93 0.18 115.15 120.70 2ixt h HIS 71 Ca 0.00 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.00 2ixt h HIS 71 Cb 0.00 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.94 2ixt h HIS 71 CO 0.00 -0.02 -0.09 0.78 0.71 0.00 0.00 177.93 179.31 2ixt h GLY 72 N 0.15 1.08 1.13 5.26 0.00 -1.88 -0.99 103.07 107.82 2ixt h GLY 72 Ca 0.18 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 2ixt h GLY 72 CO -0.26 0.78 0.18 -0.84 0.00 0.00 0.00 176.54 176.40 2ixt h THR 73 N 0.90 1.26 -0.19 4.70 2.02 -1.39 -1.39 112.91 118.81 2ixt h THR 73 Ca 0.15 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2ixt h THR 73 Cb 0.64 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2ixt h THR 73 CO 0.04 0.36 0.02 -0.74 0.37 0.00 0.00 175.52 175.57 2ixt h HIS 74 N 1.04 0.34 -0.40 3.16 6.17 -0.52 -1.61 115.15 123.33 2ixt h HIS 74 Ca 0.22 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.25 2ixt h HIS 74 Cb 0.34 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 2ixt h HIS 74 CO 0.03 0.49 0.26 0.28 0.71 0.00 0.00 177.93 179.69 2ixt h VAL 75 N 0.10 1.11 -0.73 5.26 2.07 -1.12 -2.28 116.25 120.67 2ixt h VAL 75 Ca 0.06 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2ixt h VAL 75 Cb 0.33 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2ixt h VAL 75 CO 0.01 0.11 0.46 0.00 0.02 0.00 0.00 177.57 178.16 2ixt h ALA 76 N 1.13 0.97 -0.21 1.67 0.00 -1.10 -2.44 119.26 119.28 2ixt h ALA 76 Ca 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2ixt h ALA 76 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ixt h ALA 76 CO -0.03 0.23 -0.21 0.78 0.00 0.00 0.00 179.25 180.02 2ixt h GLY 77 N 0.88 0.41 1.11 0.00 0.00 -0.85 -0.85 103.07 103.77 2ixt h GLY 77 Ca 0.30 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2ixt h GLY 77 CO -0.12 0.28 0.03 -0.84 0.00 0.00 0.00 176.54 175.89 2ixt h THR 78 N 0.34 1.26 -0.28 4.70 2.02 -1.01 -1.78 112.91 118.16 2ixt h THR 78 Ca 0.06 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.98 2ixt h THR 78 Cb 0.57 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2ixt h THR 78 CO 0.04 0.41 -0.35 0.00 0.37 0.00 0.00 175.52 175.99 2ixt h ALA 79 N 1.03 0.42 0.00 6.16 0.00 -0.98 -1.02 119.26 124.87 2ixt h ALA 79 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ixt h ALA 79 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ixt h ALA 79 CO 0.03 0.49 -0.14 1.47 0.00 0.00 0.00 179.25 181.09 2ixt n LEU 80 N -4.21 -0.00 -4.73 0.00 -0.00 -0.37 -0.98 117.00 106.71 2ixt n LEU 80 Ca -0.04 -1.01 -0.39 0.00 -0.00 0.00 0.00 56.01 54.57 2ixt n LEU 80 Cb 0.51 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.97 2ixt n LEU 80 CO 0.46 0.80 0.94 0.00 -0.00 0.00 0.00 177.39 179.59 2ixt n ALA 81 N 0.00 1.45 -0.11 1.47 0.00 -0.67 -4.42 120.51 118.22 2ixt n ALA 81 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.57 2ixt n ALA 81 Cb 0.56 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.72 2ixt n ALA 81 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ixt n ASP 82 N -0.99 2.23 0.00 0.00 3.85 -0.62 -0.46 116.55 120.57 2ixt n ASP 82 Ca 0.11 -2.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 2ixt n ASP 82 Cb 0.45 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 2ixt n ASP 82 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ixt n GLY 83 N -0.36 1.99 0.00 6.12 0.00 0.69 -4.88 105.19 108.74 2ixt n GLY 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2ixt n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ixt n GLY 84 N -2.00 -2.06 0.00 -0.02 0.00 -1.26 -0.46 105.19 99.40 2ixt n GLY 84 Ca 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.60 2ixt n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ixt n SER 85 N -2.13 0.00 -0.51 1.61 7.64 -1.26 -1.51 113.62 117.46 2ixt n SER 85 Ca 0.00 -0.17 0.06 0.00 1.01 0.00 0.00 58.87 59.76 2ixt n SER 85 Cb 0.00 -0.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.10 2ixt n SER 85 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2ixt n ASP 86 N -1.18 2.25 -1.72 6.43 5.75 -1.26 -4.99 116.55 121.82 2ixt n ASP 86 Ca 0.10 -1.64 -0.20 0.00 -0.01 0.00 0.00 54.79 53.04 2ixt n ASP 86 Cb 0.11 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 2ixt n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ixt n GLN 87 N 0.58 -1.49 -0.17 0.11 3.00 -0.57 -4.84 117.38 114.00 2ixt n GLN 87 Ca 0.08 1.17 0.09 0.00 -0.01 0.00 0.00 57.00 58.33 2ixt n GLN 87 Cb 0.33 -5.59 0.18 0.00 0.00 0.00 0.00 30.24 25.15 2ixt n GLN 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ixt n ALA 88 N 0.80 2.37 -2.59 -1.58 0.00 -0.73 -4.93 120.51 113.84 2ixt n ALA 88 Ca -0.21 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2ixt n ALA 88 Cb 0.67 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2ixt n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ixt n GLY 89 N 1.12 2.97 3.94 0.00 0.00 0.39 -3.98 105.19 109.63 2ixt n GLY 89 Ca 0.16 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 2ixt n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ixt s ILE 90 N 1.33 3.81 -0.07 -0.61 -4.36 -1.26 -4.63 121.20 115.41 2ixt s ILE 90 Ca 0.00 -0.37 0.05 0.00 -0.26 0.00 0.00 60.65 60.07 2ixt s ILE 90 Cb 0.00 -3.44 -0.01 0.00 1.25 0.00 0.00 42.46 40.26 2ixt s ILE 90 CO 0.00 -0.35 -0.22 -0.31 0.24 0.00 0.00 174.94 174.30 2ixt s TYR 91 N -2.69 2.52 0.45 1.37 2.02 -0.71 -0.23 117.35 120.10 2ixt s TYR 91 Ca 0.50 -0.65 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 2ixt s TYR 91 Cb -0.10 -1.64 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 2ixt s TYR 91 CO 0.40 -0.17 0.62 0.41 -1.57 0.00 0.00 175.55 175.24 2ixt n GLY 92 N 2.96 1.52 0.30 0.71 0.00 0.39 -4.75 105.19 106.31 2ixt n GLY 92 Ca -0.18 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 2ixt n GLY 92 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ixt h VAL 93 N -0.14 1.27 -2.52 1.61 2.07 -0.89 -3.36 116.25 114.29 2ixt h VAL 93 Ca -0.21 -1.26 -0.60 0.00 0.82 0.00 0.00 66.70 65.46 2ixt h VAL 93 Cb 0.89 0.95 -0.41 0.00 -1.52 0.00 0.00 31.29 31.20 2ixt h VAL 93 CO 0.27 0.44 -0.73 0.00 0.02 0.00 0.00 177.57 177.58 2ixt n ALA 94 N -2.50 3.39 0.52 1.67 0.00 -0.15 -4.38 120.51 119.06 2ixt n ALA 94 Ca 0.02 -4.20 0.09 0.00 0.00 0.00 0.00 53.44 49.34 2ixt n ALA 94 Cb 0.40 -0.91 0.38 0.00 0.00 0.00 0.00 19.45 19.32 2ixt n ALA 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ixt n PRO 95 N 1.67 0.05 0.00 0.00 -0.04 -1.04 -1.85 135.00 133.79 2ixt n PRO 95 Ca 0.25 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 2ixt n PRO 95 Cb 0.42 -1.59 0.17 0.00 -0.04 0.00 0.00 33.50 32.46 2ixt n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ixt n ASP 96 N -1.69 2.28 -4.75 3.54 10.43 -0.10 -4.55 116.55 121.71 2ixt n ASP 96 Ca 0.04 -1.67 -0.30 0.00 2.57 0.00 0.00 54.79 55.43 2ixt n ASP 96 Cb 0.21 0.15 0.12 0.00 1.84 0.00 0.00 41.12 43.44 2ixt n ASP 96 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ixt s ALA 97 N -2.18 1.79 -0.11 2.24 0.00 -0.77 -3.83 121.76 118.90 2ixt s ALA 97 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2ixt s ALA 97 Cb 0.20 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2ixt s ALA 97 CO 0.40 -2.15 -0.06 0.16 0.00 0.00 0.00 175.76 174.12 2ixt s ASP 98 N -3.67 4.71 -0.15 0.00 1.47 -0.26 -4.76 116.67 114.01 2ixt s ASP 98 Ca 0.63 -0.07 -0.18 0.00 1.18 0.00 0.00 52.55 54.11 2ixt s ASP 98 Cb -0.16 -1.47 -0.04 0.00 -0.34 0.00 0.00 42.92 40.91 2ixt s ASP 98 CO 0.56 0.28 0.46 -0.22 0.68 0.00 0.00 175.17 176.92 2ixt s LEU 99 N -0.28 4.22 -0.40 2.11 2.96 0.46 -0.39 118.68 127.37 2ixt s LEU 99 Ca 0.04 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 2ixt s LEU 99 Cb -0.13 -2.65 0.08 0.00 0.50 0.00 0.00 46.19 44.00 2ixt s LEU 99 CO 0.02 -0.05 0.21 0.26 -1.32 0.00 0.00 176.35 175.48 2ixt s TRP 100 N 0.95 3.40 -0.56 5.38 0.52 -0.11 -0.80 118.94 127.71 2ixt s TRP 100 Ca 0.24 -1.82 -0.22 0.00 0.02 0.00 0.00 56.10 54.32 2ixt s TRP 100 Cb -0.15 -2.93 0.06 0.00 -1.15 0.00 0.00 33.47 29.30 2ixt s TRP 100 CO 0.09 -0.88 0.83 0.00 0.02 0.00 0.00 176.95 177.01 2ixt s ALA 101 N 1.32 3.24 -0.30 0.98 0.00 0.02 -0.84 121.76 126.18 2ixt s ALA 101 Ca 0.03 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 2ixt s ALA 101 Cb -0.23 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.29 2ixt s ALA 101 CO -0.00 -2.35 0.05 0.71 0.00 0.00 0.00 175.76 174.17 2ixt s TYR 102 N 3.47 3.17 -0.44 0.00 4.12 -0.66 -1.40 117.35 125.60 2ixt s TYR 102 Ca 0.22 -1.32 -0.26 0.00 0.02 0.00 0.00 57.07 55.73 2ixt s TYR 102 Cb -0.16 -2.20 0.02 0.00 -1.52 0.00 0.00 41.96 38.10 2ixt s TYR 102 CO 0.14 -0.68 0.95 0.21 0.02 0.00 0.00 175.55 176.20 2ixt s LYS 103 N 1.41 3.63 -0.00 -0.62 2.20 0.33 -1.34 119.74 125.35 2ixt s LYS 103 Ca -0.00 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 2ixt s LYS 103 Cb -0.18 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2ixt s LYS 103 CO 0.01 -1.18 0.08 1.33 -0.36 0.00 0.00 175.35 175.23 2ixt n VAL 104 N 6.38 0.00 -4.48 4.02 0.24 0.32 -0.41 118.33 124.40 2ixt n VAL 104 Ca 0.07 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2ixt n VAL 104 Cb 0.48 0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 33.62 2ixt n VAL 104 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ixt s LEU 105 N -2.36 3.39 1.13 1.34 1.43 -0.71 -4.26 118.68 118.64 2ixt s LEU 105 Ca 0.00 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 2ixt s LEU 105 Cb 0.02 -1.76 0.27 0.00 0.03 0.00 0.00 46.19 44.74 2ixt s LEU 105 CO 0.09 0.35 1.04 -0.76 0.23 0.00 0.00 176.35 177.31 2ixt s LEU 106 N -0.74 0.93 0.58 1.79 1.43 0.23 -4.44 118.68 118.46 2ixt s LEU 106 Ca 0.11 1.37 0.30 0.00 -1.03 0.00 0.00 54.13 54.89 2ixt s LEU 106 Cb -0.11 -3.33 1.76 0.00 0.03 0.00 0.00 46.19 44.54 2ixt s LEU 106 CO 0.02 -3.97 2.21 0.44 0.23 0.00 0.00 176.35 175.27 2ixt h ASP 107 N -2.47 0.00 0.52 2.29 3.32 -1.89 0.79 116.42 118.98 2ixt h ASP 107 Ca -0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2ixt h ASP 107 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2ixt h ASP 107 CO 0.53 0.04 0.00 0.77 -1.72 0.00 0.00 179.24 178.86 2ixt h SER 108 N 0.00 0.00 0.00 6.45 4.64 -1.96 -3.40 113.55 119.28 2ixt h SER 108 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ixt h SER 108 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2ixt h SER 108 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2ixt n GLY 109 N -0.50 0.49 3.70 -0.77 0.00 0.27 -5.07 105.19 103.31 2ixt n GLY 109 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2ixt n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ixt s SER 110 N -2.81 4.66 0.00 1.61 0.01 -1.25 -4.85 113.70 111.06 2ixt s SER 110 Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2ixt s SER 110 Cb 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2ixt s SER 110 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2ixt n GLY 111 N -1.05 2.72 3.46 3.44 0.00 -1.26 -0.60 105.19 111.89 2ixt n GLY 111 Ca -0.05 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 2ixt n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ixt s TYR 112 N -6.33 2.61 0.31 1.61 1.51 -1.26 -5.01 117.35 110.79 2ixt s TYR 112 Ca 0.00 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2ixt s TYR 112 Cb 0.00 -1.55 0.50 0.00 -0.11 0.00 0.00 41.96 40.80 2ixt s TYR 112 CO 0.00 0.19 1.86 0.77 -1.11 0.00 0.00 175.55 177.27 2ixt h SER 113 N 5.01 0.66 -0.65 2.29 0.02 -1.99 -2.06 113.55 116.83 2ixt h SER 113 Ca -0.47 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 2ixt h SER 113 Cb 1.15 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2ixt h SER 113 CO 0.49 0.66 0.27 -2.24 -1.14 0.00 0.00 176.83 174.87 2ixt h ASP 114 N 0.69 0.91 -0.38 3.07 2.03 -1.97 -0.40 116.42 120.37 2ixt h ASP 114 Ca 0.16 -0.13 -0.07 0.00 -0.73 0.00 0.00 57.03 56.26 2ixt h ASP 114 Cb 0.26 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 2ixt h ASP 114 CO -0.00 0.81 -0.04 0.44 -1.03 0.00 0.00 179.24 179.42 2ixt h ASP 115 N 0.98 0.69 -0.31 4.15 3.32 -1.68 -0.53 116.42 123.04 2ixt h ASP 115 Ca 0.23 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2ixt h ASP 115 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2ixt h ASP 115 CO -0.02 0.86 0.17 0.40 -1.72 0.00 0.00 179.24 178.92 2ixt h ILE 116 N 0.51 1.13 -0.70 0.35 2.04 -1.17 -1.74 117.51 117.93 2ixt h ILE 116 Ca 0.10 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2ixt h ILE 116 Cb 0.52 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2ixt h ILE 116 CO 0.03 0.13 0.45 0.00 0.00 0.00 0.00 178.15 178.75 2ixt h ALA 117 N 1.04 0.89 -0.84 1.87 0.00 -0.92 -1.18 119.26 120.12 2ixt h ALA 117 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ixt h ALA 117 Cb 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2ixt h ALA 117 CO -0.02 0.33 0.55 0.00 0.00 0.00 0.00 179.25 180.11 2ixt h ALA 118 N 1.24 1.07 -0.37 0.00 0.00 -0.88 -1.68 119.26 118.64 2ixt h ALA 118 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2ixt h ALA 118 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2ixt h ALA 118 CO -0.05 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 2ixt h ALA 119 N 1.30 0.81 -0.16 0.00 0.00 -0.81 0.33 119.26 120.73 2ixt h ALA 119 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ixt h ALA 119 Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ixt h ALA 119 CO -0.06 0.64 0.10 0.82 0.00 0.00 0.00 179.25 180.75 2ixt h ILE 120 N 0.66 1.06 -0.56 0.00 2.04 -0.92 0.05 117.51 119.84 2ixt h ILE 120 Ca 0.08 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2ixt h ILE 120 Cb 0.81 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2ixt h ILE 120 CO 0.07 0.06 0.09 0.03 0.00 0.00 0.00 178.15 178.39 2ixt h ARG 121 N 0.20 0.90 -0.49 2.37 3.08 -1.17 -2.25 114.38 117.02 2ixt h ARG 121 Ca 0.06 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2ixt h ARG 121 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2ixt h ARG 121 CO -0.01 0.83 -0.12 1.25 -1.07 0.00 0.00 179.97 180.85 2ixt h HIS 122 N 0.85 1.06 -0.71 3.04 2.76 -0.64 0.08 115.15 121.60 2ixt h HIS 122 Ca 0.18 -0.23 0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2ixt h HIS 122 Cb 0.38 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 2ixt h HIS 122 CO 0.02 1.02 0.45 0.00 -1.30 0.00 0.00 177.93 178.12 2ixt h ALA 123 N 0.89 0.93 -0.49 5.26 0.00 -0.79 0.14 119.26 125.20 2ixt h ALA 123 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2ixt h ALA 123 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2ixt h ALA 123 CO 0.05 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.79 2ixt h ALA 124 N 1.30 0.63 -0.49 0.00 0.00 -1.02 0.06 119.26 119.74 2ixt h ALA 124 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ixt h ALA 124 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2ixt h ALA 124 CO -0.10 0.17 0.18 -0.44 0.00 0.00 0.00 179.25 179.05 2ixt h ASP 125 N 0.65 0.64 -0.08 0.00 3.32 -0.33 -1.06 116.42 119.55 2ixt h ASP 125 Ca 0.17 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 2ixt h ASP 125 Cb 0.08 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2ixt h ASP 125 CO -0.03 0.59 -0.57 1.56 -1.72 0.00 0.00 179.24 179.08 2ixt h GLN 126 N 0.69 0.67 -0.46 3.56 1.08 -0.41 0.93 115.11 121.18 2ixt h GLN 126 Ca 0.17 -0.44 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 2ixt h GLN 126 Cb 0.16 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 2ixt h GLN 126 CO -0.01 1.06 0.21 0.00 -0.95 0.00 0.00 178.83 179.13 2ixt h ALA 127 N 0.85 0.57 -0.40 3.87 0.00 -0.55 -0.88 119.26 122.73 2ixt h ALA 127 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ixt h ALA 127 Cb 1.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2ixt h ALA 127 CO 0.11 -0.16 0.06 1.15 0.00 0.00 0.00 179.25 180.42 2ixt h THR 128 N 0.42 1.24 -0.69 0.00 2.02 -1.02 -0.45 112.91 114.42 2ixt h THR 128 Ca 0.21 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2ixt h THR 128 Cb 0.15 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2ixt h THR 128 CO -0.17 0.30 0.15 0.00 0.37 0.00 0.00 175.52 176.17 2ixt h ALA 129 N 0.92 0.95 0.00 6.16 0.00 -0.60 -3.02 119.26 123.66 2ixt h ALA 129 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ixt h ALA 129 Cb 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ixt h ALA 129 CO 0.01 0.67 -0.53 1.79 0.00 0.00 0.00 179.25 181.19 2ixt h THR 130 N 1.06 0.00 -1.05 0.00 1.35 -1.09 -3.48 112.91 109.69 2ixt h THR 130 Ca 0.21 -0.56 -0.17 0.00 -0.55 0.00 0.00 66.41 65.34 2ixt h THR 130 Cb 0.40 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 2ixt h THR 130 CO 0.01 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 175.68 2ixt n GLY 131 N 1.31 0.25 3.57 5.82 0.00 -0.22 -5.04 105.19 110.88 2ixt n GLY 131 Ca 0.03 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2ixt n GLY 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ixt s THR 132 N -2.41 2.61 -0.02 2.61 -4.23 -0.96 -5.05 115.64 108.20 2ixt s THR 132 Ca 0.00 -2.13 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 2ixt s THR 132 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 2ixt s THR 132 CO 0.00 -0.27 0.60 -0.54 -0.54 0.00 0.00 174.62 173.87 2ixt s LYS 133 N -3.64 4.34 -0.01 3.99 -0.14 -1.26 -4.68 119.74 118.35 2ixt s LYS 133 Ca 0.33 0.74 0.01 0.00 -1.36 0.00 0.00 55.97 55.69 2ixt s LYS 133 Cb -0.02 -3.36 -0.00 0.00 -1.68 0.00 0.00 37.83 32.77 2ixt s LYS 133 CO 0.18 0.31 -0.04 0.99 -0.76 0.00 0.00 175.35 176.02 2ixt s THR 134 N 0.00 0.35 -0.14 2.17 2.01 -1.26 -1.27 115.64 117.50 2ixt s THR 134 Ca 0.32 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2ixt s THR 134 Cb -0.18 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2ixt s THR 134 CO 0.17 0.11 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.40 2ixt s ILE 135 N -0.03 2.45 -0.13 1.82 1.01 0.20 -1.96 121.20 124.57 2ixt s ILE 135 Ca 0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 2ixt s ILE 135 Cb -0.03 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2ixt s ILE 135 CO -0.00 0.53 0.55 -0.63 0.00 0.00 0.00 174.94 175.39 2ixt s ILE 136 N 0.74 5.13 -0.20 2.92 1.01 0.60 -0.22 121.20 131.18 2ixt s ILE 136 Ca -0.08 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.67 2ixt s ILE 136 Cb -0.16 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.47 2ixt s ILE 136 CO 0.01 0.26 -0.16 -0.55 0.00 0.00 0.00 174.94 174.49 2ixt s SER 137 N 0.82 3.53 -0.37 3.58 0.15 0.39 -0.75 113.70 121.05 2ixt s SER 137 Ca 0.28 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 56.08 2ixt s SER 137 Cb -0.16 -1.48 0.11 0.00 -1.71 0.00 0.00 66.02 62.78 2ixt s SER 137 CO 0.12 -0.07 0.09 -0.04 1.20 0.00 0.00 173.24 174.54 2ixt s MET 138 N 1.25 1.51 -1.30 5.44 -1.94 0.02 -2.04 119.30 122.23 2ixt s MET 138 Ca 0.00 -1.95 -0.08 0.00 -1.71 0.00 0.00 55.69 51.95 2ixt s MET 138 Cb -0.15 -3.15 0.15 0.00 2.01 0.00 0.00 34.83 33.69 2ixt s MET 138 CO -0.10 -0.97 2.03 0.43 -0.01 0.00 0.00 175.02 176.40 2ixt n SER 139 N 4.10 5.92 -3.66 3.03 7.64 -1.26 -1.53 113.62 127.86 2ixt n SER 139 Ca 0.04 -3.11 -0.06 0.00 1.01 0.00 0.00 58.87 56.75 2ixt n SER 139 Cb 0.40 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 2ixt n SER 139 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2ixt s LEU 140 N -0.66 -0.18 0.00 -3.43 0.05 -1.26 -4.85 118.68 108.35 2ixt s LEU 140 Ca 0.44 -0.63 0.00 0.00 0.05 0.00 0.00 54.13 53.99 2ixt s LEU 140 Cb 0.12 2.53 0.00 0.00 -2.05 0.00 0.00 46.19 46.79 2ixt s LEU 140 CO -0.02 -1.24 0.00 0.61 -0.55 0.00 0.00 176.35 175.15 2ixt n GLY 141 N -0.49 3.77 3.16 -3.48 0.00 -1.26 -4.34 105.19 102.55 2ixt n GLY 141 Ca -0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 2ixt n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ixt s SER 142 N 0.00 0.23 0.34 1.61 0.15 -0.58 -4.92 113.70 110.53 2ixt s SER 142 Ca 0.00 -0.71 0.11 0.00 0.70 0.00 0.00 55.95 56.04 2ixt s SER 142 Cb 0.00 0.28 0.61 0.00 -1.71 0.00 0.00 66.02 65.20 2ixt s SER 142 CO 0.00 -0.65 1.77 0.77 1.20 0.00 0.00 173.24 176.34 2ixt h SER 143 N 3.06 0.06 -3.33 5.45 4.64 -1.90 0.14 113.55 121.66 2ixt h SER 143 Ca -0.34 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.40 2ixt h SER 143 Cb 1.18 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 2ixt h SER 143 CO 0.58 0.46 0.02 0.00 -0.87 0.00 0.00 176.83 177.01 2ixt s ALA 144 N -4.12 3.44 0.66 5.18 0.00 -1.26 -4.62 121.76 121.05 2ixt s ALA 144 Ca -0.03 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 2ixt s ALA 144 Cb 0.14 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.46 2ixt s ALA 144 CO 0.74 0.09 1.19 1.21 0.00 0.00 0.00 175.76 178.99 2ixt s ASN 145 N 0.06 4.80 -0.07 0.00 2.47 -1.26 -4.53 114.94 116.41 2ixt s ASN 145 Ca 0.33 2.30 -0.00 0.00 0.42 0.00 0.00 52.86 55.90 2ixt s ASN 145 Cb -0.18 -2.59 0.02 0.00 -1.45 0.00 0.00 41.25 37.06 2ixt s ASN 145 CO 0.17 -1.85 -0.04 0.21 -3.72 0.00 0.00 177.10 171.87 2ixt s ASN 146 N -1.96 1.49 0.44 -4.21 3.84 -1.26 -5.05 114.94 108.23 2ixt s ASN 146 Ca 0.74 -0.15 0.24 0.00 0.21 0.00 0.00 52.86 53.90 2ixt s ASN 146 Cb -0.28 -0.54 0.90 0.00 -0.55 0.00 0.00 41.25 40.78 2ixt s ASN 146 CO 0.39 -0.12 1.82 0.77 -2.79 0.00 0.00 177.10 177.17 2ixt h SER 147 N 7.82 0.00 -0.21 -4.21 4.64 -1.98 -0.44 113.55 119.16 2ixt h SER 147 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2ixt h SER 147 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2ixt h SER 147 CO 0.37 0.22 0.07 -0.07 -0.87 0.00 0.00 176.83 176.55 2ixt h LEU 148 N 0.00 0.30 -0.37 5.97 3.38 -1.96 -1.17 115.31 121.46 2ixt h LEU 148 Ca -0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2ixt h LEU 148 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2ixt h LEU 148 CO 0.03 0.41 -0.08 0.40 0.09 0.00 0.00 178.44 179.29 2ixt h ILE 149 N 0.17 1.27 -0.39 1.22 2.04 -1.66 -1.69 117.51 118.48 2ixt h ILE 149 Ca 0.07 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 2ixt h ILE 149 Cb 0.21 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2ixt h ILE 149 CO -0.00 0.38 -0.15 0.77 0.00 0.00 0.00 178.15 179.15 2ixt h SER 150 N 0.51 0.72 -0.58 1.72 4.64 -1.08 0.23 113.55 119.70 2ixt h SER 150 Ca 0.10 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2ixt h SER 150 Cb 0.58 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2ixt h SER 150 CO 0.03 0.88 0.01 0.77 -0.87 0.00 0.00 176.83 177.65 2ixt h SER 151 N 0.65 1.01 -0.58 4.97 4.64 -1.16 -1.73 113.55 121.35 2ixt h SER 151 Ca 0.11 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2ixt h SER 151 Cb 0.62 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2ixt h SER 151 CO 0.04 1.06 0.30 0.00 -0.87 0.00 0.00 176.83 177.36 2ixt h ALA 152 N 1.04 0.74 -0.62 5.18 0.00 -0.79 -0.49 119.26 124.32 2ixt h ALA 152 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ixt h ALA 152 Cb 0.54 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2ixt h ALA 152 CO 0.03 0.27 0.38 0.28 0.00 0.00 0.00 179.25 180.21 2ixt h VAL 153 N 0.78 1.06 -0.60 0.00 2.07 -0.79 0.07 116.25 118.85 2ixt h VAL 153 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ixt h VAL 153 Cb 0.07 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2ixt h VAL 153 CO -0.03 0.13 0.39 0.78 0.02 0.00 0.00 177.57 178.86 2ixt h ASN 154 N 0.74 0.70 -0.01 0.57 2.35 -0.92 0.52 115.58 119.53 2ixt h ASN 154 Ca 0.26 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2ixt h ASN 154 Cb 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2ixt h ASN 154 CO -0.11 0.52 -0.09 0.22 -1.65 0.00 0.00 177.43 176.32 2ixt h TYR 155 N 0.82 -0.23 -0.48 1.19 3.20 -0.66 -0.54 116.97 120.27 2ixt h TYR 155 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2ixt h TYR 155 Cb -0.07 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2ixt h TYR 155 CO -0.03 -0.14 0.28 0.00 -1.64 0.00 0.00 178.16 176.63 2ixt h ALA 156 N 0.84 0.61 -0.78 1.82 0.00 -0.67 -2.56 119.26 118.52 2ixt h ALA 156 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ixt h ALA 156 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ixt h ALA 156 CO -0.10 0.11 0.49 -0.92 0.00 0.00 0.00 179.25 178.83 2ixt h TYR 157 N 0.64 1.01 0.00 0.00 3.20 -0.68 -1.60 116.97 119.54 2ixt h TYR 157 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2ixt h TYR 157 Cb 0.01 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2ixt h TYR 157 CO -0.03 0.66 0.00 0.77 -1.64 0.00 0.00 178.16 177.93 2ixt h SER 158 N 1.07 0.00 -0.47 -2.11 0.02 -0.71 -1.68 113.55 109.67 2ixt h SER 158 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2ixt h SER 158 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2ixt h SER 158 CO -0.06 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.92 2ixt n LYS 159 N -2.70 3.12 -0.37 3.45 5.02 -0.66 -4.96 118.16 121.07 2ixt n LYS 159 Ca -0.01 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 2ixt n LYS 159 Cb 0.12 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2ixt n LYS 159 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ixt n GLY 160 N 0.65 0.82 3.81 0.72 0.00 -0.63 -4.83 105.19 105.73 2ixt n GLY 160 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2ixt n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ixt s VAL 161 N -2.00 4.62 -0.02 1.61 1.01 -0.85 -4.29 120.40 120.48 2ixt s VAL 161 Ca 0.00 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 2ixt s VAL 161 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2ixt s VAL 161 CO 0.00 0.40 0.49 -0.22 0.00 0.00 0.00 175.10 175.77 2ixt s LEU 162 N -1.50 4.42 -0.15 3.92 2.96 -0.83 -4.16 118.68 123.34 2ixt s LEU 162 Ca 0.36 1.02 -0.00 0.00 -0.22 0.00 0.00 54.13 55.29 2ixt s LEU 162 Cb -0.19 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 2ixt s LEU 162 CO 0.21 0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.67 2ixt s ILE 163 N -0.47 2.93 -0.06 6.68 1.09 -1.26 -0.29 121.20 129.82 2ixt s ILE 163 Ca 0.27 -0.69 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 2ixt s ILE 163 Cb -0.17 -2.25 -0.00 0.00 -1.06 0.00 0.00 42.46 38.98 2ixt s ILE 163 CO 0.14 0.51 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.62 2ixt s VAL 164 N 0.70 1.54 0.04 2.92 1.01 0.07 -0.84 120.40 125.84 2ixt s VAL 164 Ca -0.06 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2ixt s VAL 164 Cb -0.15 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2ixt s VAL 164 CO 0.02 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.79 2ixt s ALA 165 N 0.16 -0.47 0.43 5.51 0.00 0.08 -0.80 121.76 126.67 2ixt s ALA 165 Ca -0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2ixt s ALA 165 Cb -0.13 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 2ixt s ALA 165 CO 0.04 -0.38 1.21 0.00 0.00 0.00 0.00 175.76 176.63 2ixt s ALA 166 N -2.53 3.11 0.33 0.00 0.00 -0.58 -1.21 121.76 120.88 2ixt s ALA 166 Ca -0.05 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.05 2ixt s ALA 166 Cb -0.01 -3.42 0.59 0.00 0.00 0.00 0.00 23.12 20.28 2ixt s ALA 166 CO -0.04 -0.69 1.76 0.00 0.00 0.00 0.00 175.76 176.80 2ixt h ALA 167 N 2.42 1.25 0.00 0.00 0.00 -1.30 -3.36 119.26 118.27 2ixt h ALA 167 Ca -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2ixt h ALA 167 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ixt h ALA 167 CO 0.62 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.81 2ixt n GLY 168 N -0.32 2.27 1.36 0.00 0.00 -1.26 -1.19 105.19 106.04 2ixt n GLY 168 Ca -0.02 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 2ixt n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ixt n ASN 169 N 0.00 3.18 -0.86 1.61 3.02 -1.26 -0.60 115.26 120.34 2ixt n ASN 169 Ca 0.00 -3.72 0.03 0.00 -0.03 0.00 0.00 54.58 50.86 2ixt n ASN 169 Cb 0.00 -0.43 0.21 0.00 -0.61 0.00 0.00 39.78 38.95 2ixt n ASN 169 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ixt n SER 170 N -0.86 2.83 -4.38 6.41 3.41 -0.95 -4.75 113.62 115.33 2ixt n SER 170 Ca 0.30 -3.45 -0.29 0.00 -0.26 0.00 0.00 58.87 55.17 2ixt n SER 170 Cb 0.84 -0.57 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 2ixt n SER 170 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ixt s GLY 171 N -2.46 1.62 0.00 5.00 0.00 0.17 -4.50 107.32 107.14 2ixt s GLY 171 Ca 0.41 -0.76 0.12 0.00 0.00 0.00 0.00 44.72 44.49 2ixt s GLY 171 CO 0.02 -0.06 1.26 1.58 0.00 0.00 0.00 173.10 175.90 2ixt n TYR 172 N -4.09 0.48 -1.92 1.90 4.11 -1.01 -4.53 117.16 112.11 2ixt n TYR 172 Ca 0.10 -0.47 -0.42 0.00 -0.00 0.00 0.00 57.90 57.11 2ixt n TYR 172 Cb 0.59 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.34 39.88 2ixt n TYR 172 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2ixt s SER 173 N -1.00 6.58 0.15 9.48 1.04 -1.26 -4.72 113.70 123.96 2ixt s SER 173 Ca 0.25 2.58 -0.31 0.00 0.48 0.00 0.00 55.95 58.94 2ixt s SER 173 Cb 0.13 -2.58 -0.18 0.00 0.10 0.00 0.00 66.02 63.49 2ixt s SER 173 CO 0.17 -0.86 0.69 1.67 0.98 0.00 0.00 173.24 175.90 2ixt n GLN 174 N 4.64 0.05 -0.93 4.02 0.00 -1.26 -3.19 117.38 120.71 2ixt n GLN 174 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 2ixt n GLN 174 Cb 0.39 -1.17 0.00 0.00 0.00 0.00 0.00 30.24 29.46 2ixt n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ixt n GLY 175 N 1.85 0.49 0.19 1.69 0.00 0.41 -4.98 105.19 104.84 2ixt n GLY 175 Ca 0.18 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.40 2ixt n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ixt n THR 176 N -2.91 0.00 -1.63 2.61 -2.24 -0.14 -4.97 114.28 104.99 2ixt n THR 176 Ca 0.00 -0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 2ixt n THR 176 Cb 0.04 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2ixt n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ixt n ILE 177 N -0.89 1.75 -3.78 2.28 3.06 -0.06 -4.65 119.36 117.06 2ixt n ILE 177 Ca 0.08 -0.44 -0.18 0.00 -2.50 0.00 0.00 62.75 59.71 2ixt n ILE 177 Cb 0.37 -1.22 -0.00 0.00 0.54 0.00 0.00 39.64 39.32 2ixt n ILE 177 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2ixt n GLY 178 N 1.29 2.87 3.49 4.50 0.00 -0.33 -4.90 105.19 112.10 2ixt n GLY 178 Ca 0.09 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 2ixt n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ixt s TYR 179 N -1.86 2.61 -1.66 1.61 1.51 0.47 -0.36 117.35 119.67 2ixt s TYR 179 Ca 0.20 -0.22 0.31 0.00 -1.01 0.00 0.00 57.07 56.35 2ixt s TYR 179 Cb -0.02 -1.46 1.65 0.00 -0.11 0.00 0.00 41.96 42.02 2ixt s TYR 179 CO 0.13 0.30 2.11 -0.35 -1.11 0.00 0.00 175.55 176.63 2ixt n PRO 180 N 1.37 0.66 -0.30 -1.71 -0.04 -1.26 -1.53 135.00 132.20 2ixt n PRO 180 Ca -0.16 -0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.35 2ixt n PRO 180 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 2ixt n PRO 180 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2ixt h GLY 181 N 5.00 1.40 1.49 0.55 0.00 -1.68 -1.27 103.07 108.55 2ixt h GLY 181 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2ixt h GLY 181 CO 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.53 2ixt n ALA 182 N -2.41 1.99 -1.77 3.60 0.00 0.51 -3.80 120.51 118.64 2ixt n ALA 182 Ca 0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 2ixt n ALA 182 Cb 0.41 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2ixt n ALA 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ixt s LEU 183 N -2.49 4.08 0.42 0.00 1.43 -0.48 -1.01 118.68 120.63 2ixt s LEU 183 Ca 0.18 2.41 0.14 0.00 -1.03 0.00 0.00 54.13 55.83 2ixt s LEU 183 Cb 0.12 -4.13 1.00 0.00 0.03 0.00 0.00 46.19 43.21 2ixt s LEU 183 CO 0.26 -0.90 1.93 -0.65 0.23 0.00 0.00 176.35 177.22 2ixt h PRO 184 N 2.26 0.46 -0.21 1.29 0.11 -1.87 -2.16 132.00 131.88 2ixt h PRO 184 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ixt h PRO 184 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ixt h PRO 184 CO 0.61 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 2ixt n ASN 185 N -4.49 1.72 -4.43 -2.05 3.02 -1.26 -4.84 115.26 102.93 2ixt n ASN 185 Ca 0.13 -1.77 -0.31 0.00 -0.03 0.00 0.00 54.58 52.61 2ixt n ASN 185 Cb 0.47 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 2ixt n ASN 185 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ixt s ALA 186 N -1.73 2.51 -0.44 5.41 0.00 -0.81 -4.48 121.76 122.22 2ixt s ALA 186 Ca 0.30 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2ixt s ALA 186 Cb 0.16 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2ixt s ALA 186 CO 0.24 0.56 0.73 0.42 0.00 0.00 0.00 175.76 177.71 2ixt s ILE 187 N -0.89 4.72 -0.02 0.00 1.01 -0.02 -4.68 121.20 121.32 2ixt s ILE 187 Ca 0.14 0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.88 2ixt s ILE 187 Cb -0.10 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2ixt s ILE 187 CO 0.04 -0.64 0.84 0.00 0.00 0.00 0.00 174.94 175.18 2ixt s ALA 188 N 3.10 3.26 -0.21 9.38 0.00 -1.25 -0.74 121.76 135.30 2ixt s ALA 188 Ca 0.27 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2ixt s ALA 188 Cb -0.13 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2ixt s ALA 188 CO 0.21 -0.14 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 2ixt s VAL 189 N 0.77 3.08 0.36 0.00 1.01 -0.35 -1.42 120.40 123.85 2ixt s VAL 189 Ca 0.44 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2ixt s VAL 189 Cb -0.20 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 2ixt s VAL 189 CO 0.23 0.45 0.68 0.00 0.00 0.00 0.00 175.10 176.47 2ixt s ALA 190 N 1.40 3.46 -0.19 5.51 0.00 -0.03 -0.86 121.76 131.05 2ixt s ALA 190 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2ixt s ALA 190 Cb -0.14 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 2ixt s ALA 190 CO -0.05 0.08 0.15 0.00 0.00 0.00 0.00 175.76 175.93 2ixt s ALA 191 N -2.27 3.69 0.16 0.00 0.00 -1.26 -1.34 121.76 120.74 2ixt s ALA 191 Ca 0.48 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 2ixt s ALA 191 Cb -0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2ixt s ALA 191 CO 0.31 0.18 0.37 -0.51 0.00 0.00 0.00 175.76 176.11 2ixt s LEU 192 N 0.28 4.25 0.31 0.00 1.43 0.34 -0.88 118.68 124.41 2ixt s LEU 192 Ca 0.09 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 2ixt s LEU 192 Cb -0.11 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2ixt s LEU 192 CO -0.01 0.01 0.06 -1.83 0.23 0.00 0.00 176.35 174.82 2ixt s GLU 193 N -2.97 2.30 -1.40 1.70 -1.05 -0.26 -0.65 118.70 116.37 2ixt s GLU 193 Ca 0.39 -1.53 -0.08 0.00 -0.15 0.00 0.00 54.97 53.60 2ixt s GLU 193 Cb -0.12 -2.13 0.07 0.00 -0.44 0.00 0.00 34.13 31.52 2ixt s GLU 193 CO 0.27 0.22 2.38 -1.71 0.95 0.00 0.00 175.26 177.37 2ixt n ASN 194 N -1.02 7.00 -3.86 0.83 5.15 -1.26 -3.96 115.26 118.14 2ixt n ASN 194 Ca -0.05 -2.97 -0.12 0.00 -0.60 0.00 0.00 54.58 50.85 2ixt n ASN 194 Cb 0.60 -1.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.26 2ixt n ASN 194 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ixt s VAL 195 N 0.50 0.02 -0.12 3.44 1.01 -1.26 -5.07 120.40 118.92 2ixt s VAL 195 Ca 0.53 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 2ixt s VAL 195 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.33 2ixt s VAL 195 CO -0.06 -0.08 0.13 -1.10 0.00 0.00 0.00 175.10 173.98 2ixt s GLN 196 N -0.24 3.40 -0.11 2.72 -1.52 -1.26 -1.12 119.66 121.54 2ixt s GLN 196 Ca -0.03 -0.16 -0.09 0.00 -1.95 0.00 0.00 55.36 53.13 2ixt s GLN 196 Cb -0.02 -3.15 0.03 0.00 -0.22 0.00 0.00 33.01 29.65 2ixt s GLN 196 CO 0.00 0.77 0.29 -1.14 -0.25 0.00 0.00 175.29 174.96 2ixt s GLN 197 N -1.03 0.32 -1.42 2.91 0.74 0.14 -4.87 119.66 116.44 2ixt s GLN 197 Ca 0.15 0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.97 2ixt s GLN 197 Cb -0.12 0.11 0.01 0.00 1.10 0.00 0.00 33.01 34.11 2ixt s GLN 197 CO 0.04 -0.06 0.22 0.09 -0.55 0.00 0.00 175.29 175.03 2ixt n ASN 198 N 3.18 -5.00 0.00 6.67 5.03 -1.26 -2.02 115.26 121.87 2ixt n ASN 198 Ca -0.15 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.23 2ixt n ASN 198 Cb 0.57 -4.14 0.00 0.00 -1.02 0.00 0.00 39.78 35.19 2ixt n ASN 198 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ixt n GLY 199 N -1.09 0.54 3.28 7.41 0.00 -1.26 -4.80 105.19 109.27 2ixt n GLY 199 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2ixt n GLY 199 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ixt s THR 200 N -2.21 0.26 0.74 2.61 -4.23 -0.85 -5.04 115.64 106.90 2ixt s THR 200 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 2ixt s THR 200 Cb 0.00 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.33 2ixt s THR 200 CO 0.00 0.00 1.12 -1.22 -0.54 0.00 0.00 174.62 173.98 2ixt n TYR 201 N -0.45 1.16 -4.01 3.99 4.02 -1.26 -0.69 117.16 119.92 2ixt n TYR 201 Ca 0.02 0.40 -0.35 0.00 -0.01 0.00 0.00 57.90 57.96 2ixt n TYR 201 Cb 0.65 -2.13 -0.09 0.00 -0.02 0.00 0.00 39.34 37.75 2ixt n TYR 201 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2ixt s ARG 202 N -3.62 3.74 0.23 -0.72 3.52 -0.27 -3.67 118.95 118.15 2ixt s ARG 202 Ca 0.75 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 2ixt s ARG 202 Cb -0.33 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 2ixt s ARG 202 CO 0.48 0.45 1.36 0.08 -0.81 0.00 0.00 175.30 176.86 2ixt s VAL 203 N -0.11 2.96 0.46 7.11 1.01 -0.26 -1.10 120.40 130.47 2ixt s VAL 203 Ca 0.07 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 2ixt s VAL 203 Cb -0.12 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2ixt s VAL 203 CO 0.01 0.13 1.31 0.00 0.00 0.00 0.00 175.10 176.55 2ixt s ALA 204 N 0.00 3.09 0.37 5.51 0.00 -0.06 -4.55 121.76 126.12 2ixt s ALA 204 Ca 0.57 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.83 2ixt s ALA 204 Cb -0.39 -3.51 0.74 0.00 0.00 0.00 0.00 23.12 19.97 2ixt s ALA 204 CO 0.41 -0.99 1.98 -0.44 0.00 0.00 0.00 175.76 176.72 2ixt h ASP 205 N 2.20 0.64 1.00 0.00 3.32 -1.93 -1.84 116.42 119.80 2ixt h ASP 205 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2ixt h ASP 205 Cb 1.26 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2ixt h ASP 205 CO 0.61 0.43 0.00 0.10 -1.72 0.00 0.00 179.24 178.66 2ixt h TYR 206 N 0.74 0.00 -2.95 4.55 -0.00 -1.89 -2.67 116.97 114.75 2ixt h TYR 206 Ca 0.27 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.48 2ixt h TYR 206 Cb 0.16 0.00 0.03 0.00 0.00 0.00 0.00 36.73 36.92 2ixt h TYR 206 CO -0.00 0.00 0.78 0.45 -0.00 0.00 0.00 178.16 179.39 2ixt s SER 207 N -4.90 6.74 0.40 0.10 0.15 -0.69 -0.65 113.70 114.83 2ixt s SER 207 Ca 0.04 2.44 -0.26 0.00 0.70 0.00 0.00 55.95 58.86 2ixt s SER 207 Cb 0.09 -2.59 -0.09 0.00 -1.71 0.00 0.00 66.02 61.72 2ixt s SER 207 CO 0.49 -0.71 1.28 -0.44 1.20 0.00 0.00 173.24 175.05 2ixt s SER 208 N 1.10 6.39 0.01 5.45 0.01 0.23 -3.65 113.70 123.23 2ixt s SER 208 Ca 0.66 2.60 -0.01 0.00 1.31 0.00 0.00 55.95 60.52 2ixt s SER 208 Cb -0.39 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.16 2ixt s SER 208 CO 0.31 -0.79 0.14 -0.13 0.41 0.00 0.00 173.24 173.17 2ixt s ARG 209 N -2.20 3.24 0.00 12.44 3.00 -1.26 -4.62 118.95 129.55 2ixt s ARG 209 Ca 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 55.73 55.86 2ixt s ARG 209 Cb -0.37 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 31.61 2ixt s ARG 209 CO 0.47 0.65 0.00 0.41 0.00 0.00 0.00 175.30 176.83 2ixt n GLY 210 N 0.94 0.21 3.35 -3.53 0.00 0.24 -0.89 105.19 105.51 2ixt n GLY 210 Ca -0.11 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 2ixt n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ixt s TYR 211 N 0.00 2.39 0.21 1.61 1.51 -1.24 -0.44 117.35 121.38 2ixt s TYR 211 Ca 0.00 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 2ixt s TYR 211 Cb 0.00 -1.50 0.20 0.00 -0.11 0.00 0.00 41.96 40.55 2ixt s TYR 211 CO 0.00 0.03 1.83 0.82 -1.11 0.00 0.00 175.55 177.12 2ixt h ILE 212 N 4.41 1.04 -0.21 2.71 2.04 -1.97 -2.97 117.51 122.56 2ixt h ILE 212 Ca -0.44 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2ixt h ILE 212 Cb 1.13 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2ixt h ILE 212 CO 0.47 0.14 0.14 -1.28 0.00 0.00 0.00 178.15 177.62 2ixt h SER 213 N 0.77 0.19 -0.01 1.72 0.87 -2.02 -2.61 113.55 112.47 2ixt h SER 213 Ca 0.28 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2ixt h SER 213 Cb 0.09 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2ixt h SER 213 CO -0.14 0.14 -0.00 0.35 -0.53 0.00 0.00 176.83 176.65 2ixt n THR 214 N -4.50 0.00 -3.43 2.23 -2.24 -1.22 -5.00 114.28 100.11 2ixt n THR 214 Ca 0.01 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 2ixt n THR 214 Cb 0.12 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 2ixt n THR 214 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ixt s ALA 215 N -0.76 3.63 0.00 6.98 0.00 -0.98 -4.45 121.76 126.18 2ixt s ALA 215 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2ixt s ALA 215 Cb 0.08 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2ixt s ALA 215 CO 0.11 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2ixt n GLY 216 N 2.20 1.46 0.37 0.00 0.00 -1.18 -4.90 105.19 103.15 2ixt n GLY 216 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 2ixt n GLY 216 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ixt n ASP 217 N 0.00 1.44 -3.45 1.61 3.85 -1.26 -4.59 116.55 114.15 2ixt n ASP 217 Ca 0.00 -1.18 -0.25 0.00 -0.71 0.00 0.00 54.79 52.65 2ixt n ASP 217 Cb 0.00 0.20 0.02 0.00 -1.35 0.00 0.00 41.12 39.99 2ixt n ASP 217 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 2ixt n TYR 218 N -0.29 -2.05 -3.91 2.11 4.02 -1.26 -4.98 117.16 110.79 2ixt n TYR 218 Ca 0.12 0.64 -0.17 0.00 -0.01 0.00 0.00 57.90 58.48 2ixt n TYR 218 Cb 0.39 -3.79 -0.16 0.00 -0.02 0.00 0.00 39.34 35.76 2ixt n TYR 218 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2ixt s VAL 219 N -3.13 0.17 -0.26 -0.72 1.01 -1.26 -5.12 120.40 111.08 2ixt s VAL 219 Ca 0.46 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 2ixt s VAL 219 Cb -0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2ixt s VAL 219 CO 0.57 0.15 0.79 -0.63 0.00 0.00 0.00 175.10 175.98 2ixt s ILE 220 N 1.09 4.84 0.47 2.22 -1.09 -1.26 -4.98 121.20 122.49 2ixt s ILE 220 Ca -0.09 1.40 0.07 0.00 -2.23 0.00 0.00 60.65 59.81 2ixt s ILE 220 Cb -0.13 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2ixt s ILE 220 CO -0.02 -0.11 0.44 -1.10 -1.23 0.00 0.00 174.94 172.92 2ixt s GLN 221 N 2.84 2.45 0.24 2.79 1.11 -1.26 -4.91 119.66 122.91 2ixt s GLN 221 Ca 0.33 -1.66 -0.31 0.00 0.01 0.00 0.00 55.36 53.73 2ixt s GLN 221 Cb -0.15 -2.36 -0.13 0.00 -1.01 0.00 0.00 33.01 29.37 2ixt s GLN 221 CO 0.09 -0.39 1.53 -1.91 0.01 0.00 0.00 175.29 174.62 2ixt n GLU 222 N -1.70 2.36 -0.20 2.91 2.13 -1.26 -2.17 120.64 122.71 2ixt n GLU 222 Ca 0.04 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2ixt n GLU 222 Cb 0.62 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.75 2ixt n GLU 222 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ixt n GLY 223 N 2.53 0.77 3.78 8.31 0.00 -0.18 -5.01 105.19 115.39 2ixt n GLY 223 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2ixt n GLY 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ixt s ASP 224 N -2.87 6.74 0.50 1.61 -0.00 -0.92 -3.69 116.67 118.04 2ixt s ASP 224 Ca 0.00 0.88 -0.21 0.00 -0.00 0.00 0.00 52.55 53.22 2ixt s ASP 224 Cb 0.00 -2.27 -0.07 0.00 -0.00 0.00 0.00 42.92 40.59 2ixt s ASP 224 CO 0.00 0.16 1.14 -0.63 -0.00 0.00 0.00 175.17 175.84 2ixt s ILE 225 N -0.21 3.19 0.10 0.77 -1.09 -1.26 -4.59 121.20 118.11 2ixt s ILE 225 Ca 0.24 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 2ixt s ILE 225 Cb -0.16 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2ixt s ILE 225 CO 0.12 -0.10 0.00 1.21 -1.23 0.00 0.00 174.94 174.93 2ixt n GLU 226 N -0.94 0.00 -4.77 2.79 2.13 -0.51 -4.19 120.64 115.15 2ixt n GLU 226 Ca 0.10 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.63 2ixt n GLU 226 Cb 0.50 -0.46 -0.14 0.00 0.27 0.00 0.00 31.44 31.61 2ixt n GLU 226 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ixt s ILE 227 N -1.96 1.99 0.07 6.31 -1.09 -0.93 -0.57 121.20 125.02 2ixt s ILE 227 Ca 0.00 -1.36 0.03 0.00 -2.23 0.00 0.00 60.65 57.08 2ixt s ILE 227 Cb 0.00 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 2ixt s ILE 227 CO 0.00 0.28 0.07 -0.44 -1.23 0.00 0.00 174.94 173.62 2ixt s SER 228 N -1.30 5.47 0.18 3.58 0.01 0.03 -0.86 113.70 120.82 2ixt s SER 228 Ca 0.10 -0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.17 2ixt s SER 228 Cb -0.10 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.71 2ixt s SER 228 CO 0.02 0.19 0.53 0.00 0.41 0.00 0.00 173.24 174.40 2ixt s ALA 229 N -1.34 -1.09 0.10 1.44 0.00 -0.45 -4.01 121.76 116.41 2ixt s ALA 229 Ca 0.28 -0.06 -0.34 0.00 0.00 0.00 0.00 51.96 51.84 2ixt s ALA 229 Cb -0.12 0.84 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 2ixt s ALA 229 CO 0.20 -0.79 1.69 -2.30 0.00 0.00 0.00 175.76 174.56 2ixt n PRO 230 N -0.34 2.26 0.00 0.00 -0.02 -1.26 -0.50 135.00 135.14 2ixt n PRO 230 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2ixt n PRO 230 Cb 0.63 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2ixt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ixt n GLY 231 N 3.78 0.00 3.78 -1.23 0.00 0.18 -2.97 105.19 108.73 2ixt n GLY 231 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2ixt n GLY 231 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ixt s SER 232 N -1.24 6.68 -1.07 1.61 0.01 -0.98 -0.93 113.70 117.79 2ixt s SER 232 Ca 0.00 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.99 2ixt s SER 232 Cb 0.00 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 2ixt s SER 232 CO 0.00 0.18 0.90 -0.24 0.41 0.00 0.00 173.24 174.50 2ixt n SER 233 N 2.74 -6.38 -4.46 2.44 2.88 -1.24 -4.70 113.62 104.89 2ixt n SER 233 Ca -0.12 -0.75 -0.37 0.00 -1.33 0.00 0.00 58.87 56.30 2ixt n SER 233 Cb 0.52 -4.97 -0.12 0.00 -0.75 0.00 0.00 64.21 58.89 2ixt n SER 233 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ixt s VAL 234 N -3.40 4.48 -0.04 2.46 1.01 -0.58 -4.90 120.40 119.43 2ixt s VAL 234 Ca 0.45 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 2ixt s VAL 234 Cb -0.07 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2ixt s VAL 234 CO 0.76 0.29 0.76 -0.47 0.00 0.00 0.00 175.10 176.43 2ixt s TYR 235 N 1.63 3.61 0.39 5.22 5.04 -1.26 -2.14 117.35 129.85 2ixt s TYR 235 Ca 0.06 1.36 -0.13 0.00 -2.44 0.00 0.00 57.07 55.92 2ixt s TYR 235 Cb -0.16 -2.86 0.05 0.00 0.35 0.00 0.00 41.96 39.35 2ixt s TYR 235 CO 0.05 0.10 0.76 0.45 -1.34 0.00 0.00 175.55 175.57 2ixt n SER 236 N 3.67 -2.20 -4.74 4.32 2.88 -0.29 -4.85 113.62 112.41 2ixt n SER 236 Ca -0.00 -2.64 -0.35 0.00 -1.33 0.00 0.00 58.87 54.54 2ixt n SER 236 Cb 0.51 3.70 0.06 0.00 -0.75 0.00 0.00 64.21 67.74 2ixt n SER 236 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ixt s THR 237 N -2.19 2.45 0.19 2.46 -4.23 -1.26 -0.95 115.64 112.12 2ixt s THR 237 Ca 0.18 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2ixt s THR 237 Cb -0.04 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 2ixt s THR 237 CO 0.13 -0.09 -0.07 0.86 -0.54 0.00 0.00 174.62 174.91 2ixt s TRP 238 N -1.76 1.46 0.15 3.99 -0.00 -0.66 -2.27 118.94 119.85 2ixt s TRP 238 Ca 0.76 -0.80 0.19 0.00 -0.00 0.00 0.00 56.10 56.26 2ixt s TRP 238 Cb -0.30 -0.78 0.69 0.00 -0.00 0.00 0.00 33.47 33.07 2ixt s TRP 238 CO 0.39 0.08 1.73 0.10 -0.00 0.00 0.00 176.95 179.26 2ixt h TYR 239 N 2.61 0.00 -0.27 5.86 -0.00 -1.88 -2.62 116.97 120.67 2ixt h TYR 239 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 2ixt h TYR 239 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 2ixt h TYR 239 CO 0.63 0.36 0.00 0.27 -0.00 0.00 0.00 178.16 179.42 2ixt n ASN 240 N -3.50 3.84 0.00 0.10 6.94 -1.26 -4.67 115.26 116.71 2ixt n ASN 240 Ca -0.00 -3.07 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 2ixt n ASN 240 Cb 0.51 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2ixt n ASN 240 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ixt n GLY 241 N -0.54 1.98 7.00 4.83 0.00 -0.99 -5.06 105.19 112.42 2ixt n GLY 241 Ca 0.22 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2ixt n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ixt n GLY 242 N 0.62 2.41 3.41 -0.02 0.00 -1.26 -4.32 105.19 106.03 2ixt n GLY 242 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 2ixt n GLY 242 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ixt s TYR 243 N 0.00 0.40 0.20 1.61 1.51 -1.26 -1.65 117.35 118.17 2ixt s TYR 243 Ca 0.00 -0.75 -0.20 0.00 -1.01 0.00 0.00 57.07 55.11 2ixt s TYR 243 Cb 0.00 0.01 0.04 0.00 -0.11 0.00 0.00 41.96 41.90 2ixt s TYR 243 CO 0.00 -0.81 0.59 1.21 -1.11 0.00 0.00 175.55 175.43 2ixt s ASN 244 N -2.99 -0.35 -0.19 2.29 2.47 -0.13 -4.76 114.94 111.29 2ixt s ASN 244 Ca 0.20 -0.37 -0.00 0.00 0.42 0.00 0.00 52.86 53.11 2ixt s ASN 244 Cb 0.02 0.62 0.01 0.00 -1.45 0.00 0.00 41.25 40.45 2ixt s ASN 244 CO 0.03 -1.09 -0.16 -0.89 -3.72 0.00 0.00 177.10 171.28 2ixt s THR 245 N -3.85 2.45 0.21 -5.21 2.01 -1.26 -1.13 115.64 108.86 2ixt s THR 245 Ca 0.07 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2ixt s THR 245 Cb -0.02 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2ixt s THR 245 CO -0.04 0.51 0.05 0.27 -0.69 0.00 0.00 174.62 174.72 2ixt s ILE 246 N 1.31 0.55 0.11 1.82 -4.36 -0.91 -4.88 121.20 114.83 2ixt s ILE 246 Ca 0.05 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 2ixt s ILE 246 Cb -0.13 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2ixt s ILE 246 CO -0.10 -0.25 -0.16 -0.44 0.24 0.00 0.00 174.94 174.24 2ixt s SER 247 N -3.22 2.07 0.00 4.36 0.01 -1.26 -1.52 113.70 114.14 2ixt s SER 247 Ca 0.31 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2ixt s SER 247 Cb 0.07 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2ixt s SER 247 CO 0.08 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2ixt n GLY 248 N 0.86 1.81 0.32 3.44 0.00 -0.11 -4.84 105.19 106.67 2ixt n GLY 248 Ca -0.18 -1.39 0.21 0.00 0.00 0.00 0.00 46.02 44.66 2ixt n GLY 248 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ixt h THR 249 N 2.01 0.00 -0.26 2.61 1.35 -1.84 -1.28 112.91 115.49 2ixt h THR 249 Ca 0.00 -0.19 0.02 0.00 -0.55 0.00 0.00 66.41 65.69 2ixt h THR 249 Cb 0.00 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2ixt h THR 249 CO 0.00 0.00 0.17 0.28 -0.25 0.00 0.00 175.52 175.72 2ixt h SER 250 N 0.00 0.25 0.71 5.36 0.02 -1.88 -1.66 113.55 116.34 2ixt h SER 250 Ca 0.00 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2ixt h SER 250 Cb 0.19 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2ixt h SER 250 CO 0.00 0.17 -1.39 0.24 -1.14 0.00 0.00 176.83 174.71 2ixt h MET 251 N 0.29 0.01 -0.43 3.45 2.86 -1.50 -3.34 114.93 116.27 2ixt h MET 251 Ca 0.10 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 2ixt h MET 251 Cb 0.06 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2ixt h MET 251 CO -0.02 0.74 -0.26 0.00 1.06 0.00 0.00 176.91 178.43 2ixt h ALA 252 N 0.97 0.61 -0.26 6.32 0.00 -1.23 -3.32 119.26 122.35 2ixt h ALA 252 Ca -0.16 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.40 2ixt h ALA 252 Cb 1.91 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2ixt h ALA 252 CO 0.10 0.63 -0.17 1.15 0.00 0.00 0.00 179.25 180.96 2ixt h THR 253 N 0.76 0.51 0.00 0.00 2.02 -1.43 -1.56 112.91 113.21 2ixt h THR 253 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2ixt h THR 253 Cb 0.85 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2ixt h THR 253 CO 0.07 0.00 -0.05 1.55 0.37 0.00 0.00 175.52 177.46 2ixt h PRO 254 N -0.15 0.00 -0.70 6.66 0.13 -1.73 -0.32 132.00 135.89 2ixt h PRO 254 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2ixt h PRO 254 Cb 0.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 2ixt h PRO 254 CO -0.36 0.05 0.43 0.45 -0.23 0.00 0.00 178.00 178.34 2ixt h HIS 255 N 0.00 0.92 -0.10 1.56 3.86 -1.38 0.31 115.15 120.31 2ixt h HIS 255 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 2ixt h HIS 255 Cb 0.50 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2ixt h HIS 255 CO 0.00 0.61 -0.39 0.28 0.86 0.00 0.00 177.93 179.30 2ixt h VAL 256 N 0.95 1.39 -0.87 2.45 2.07 -1.04 -0.60 116.25 120.60 2ixt h VAL 256 Ca 0.25 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.07 2ixt h VAL 256 Cb -0.04 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 2ixt h VAL 256 CO -0.05 0.51 0.56 0.28 0.02 0.00 0.00 177.57 178.90 2ixt h SER 257 N 0.01 0.95 -0.50 0.57 0.02 -1.11 0.97 113.55 114.46 2ixt h SER 257 Ca -0.02 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2ixt h SER 257 Cb 1.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2ixt h SER 257 CO 0.08 0.66 0.12 1.23 -1.14 0.00 0.00 176.83 177.78 2ixt h GLY 258 N 1.11 0.87 1.00 -3.77 0.00 -0.93 -0.94 103.07 100.41 2ixt h GLY 258 Ca 0.34 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ixt h GLY 258 CO -0.10 0.51 0.41 -2.00 0.00 0.00 0.00 176.54 175.36 2ixt h LEU 259 N 0.69 0.74 -1.00 3.11 5.85 -0.73 -0.48 115.31 123.49 2ixt h LEU 259 Ca 0.16 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2ixt h LEU 259 Cb 0.34 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2ixt h LEU 259 CO 0.00 0.54 0.66 0.00 -0.34 0.00 0.00 178.44 179.31 2ixt h ALA 260 N 1.22 1.30 -0.58 1.25 0.00 -0.62 0.02 119.26 121.85 2ixt h ALA 260 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2ixt h ALA 260 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 2ixt h ALA 260 CO -0.05 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.78 2ixt h ALA 261 N 1.39 0.87 -0.40 0.00 0.00 -0.53 0.94 119.26 121.53 2ixt h ALA 261 Ca 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ixt h ALA 261 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2ixt h ALA 261 CO -0.10 0.66 0.21 -0.22 0.00 0.00 0.00 179.25 179.80 2ixt h LYS 262 N 0.93 0.56 -0.49 0.00 3.64 -0.50 -0.90 116.57 119.82 2ixt h LYS 262 Ca 0.16 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2ixt h LYS 262 Cb 0.57 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2ixt h LYS 262 CO 0.03 0.47 0.06 0.82 -2.27 0.00 0.00 179.45 178.56 2ixt h ILE 263 N 0.51 1.25 -0.64 2.00 2.04 -0.82 -3.05 117.51 118.80 2ixt h ILE 263 Ca 0.14 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 2ixt h ILE 263 Cb 0.07 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2ixt h ILE 263 CO -0.02 0.34 0.07 -0.25 0.00 0.00 0.00 178.15 178.29 2ixt h TRP 264 N 0.69 1.17 -0.48 1.37 2.91 -0.62 -2.40 115.95 118.59 2ixt h TRP 264 Ca 0.15 -0.18 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2ixt h TRP 264 Cb 0.43 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 2ixt h TRP 264 CO 0.03 0.99 0.29 0.00 -1.03 0.00 0.00 178.44 178.72 2ixt h ALA 265 N 1.02 1.61 0.00 2.65 0.00 -1.11 -0.18 119.26 123.25 2ixt h ALA 265 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ixt h ALA 265 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ixt h ALA 265 CO 0.02 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.00 2ixt n GLU 266 N -4.44 0.21 -2.92 0.00 1.02 -0.91 -4.25 120.64 109.34 2ixt n GLU 266 Ca 0.04 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2ixt n GLU 266 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2ixt n GLU 266 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2ixt s ASN 267 N -2.66 -0.94 0.00 1.62 2.47 -0.14 -5.04 114.94 110.25 2ixt s ASN 267 Ca 0.16 -0.65 0.30 0.00 0.42 0.00 0.00 52.86 53.09 2ixt s ASN 267 Cb 0.12 1.22 1.66 0.00 -1.45 0.00 0.00 41.25 42.79 2ixt s ASN 267 CO 0.29 -0.09 2.07 -2.65 -3.72 0.00 0.00 177.10 173.01 2ixt n PRO 268 N 3.73 0.72 0.21 0.43 -0.02 -0.86 -1.67 135.00 137.54 2ixt n PRO 268 Ca 0.10 0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2ixt n PRO 268 Cb 0.60 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.90 2ixt n PRO 268 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2ixt h SER 269 N 0.00 0.00 -3.93 2.55 0.02 -1.96 -3.45 113.55 106.78 2ixt h SER 269 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2ixt h SER 269 Cb 0.11 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.77 2ixt h SER 269 CO 0.00 0.18 0.72 0.18 -1.14 0.00 0.00 176.83 176.77 2ixt n LEU 270 N -3.22 4.96 -4.73 5.07 4.77 -0.67 -4.99 117.00 118.19 2ixt n LEU 270 Ca 0.02 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.86 2ixt n LEU 270 Cb 0.50 -1.61 0.14 0.00 -2.33 0.00 0.00 43.42 40.13 2ixt n LEU 270 CO 0.34 -0.07 0.68 -0.94 -1.33 0.00 0.00 177.39 176.06 2ixt s SER 271 N -0.36 3.43 0.28 -1.43 1.04 -1.26 -4.82 113.70 110.58 2ixt s SER 271 Ca 0.58 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 58.28 2ixt s SER 271 Cb -0.46 -1.95 0.45 0.00 0.10 0.00 0.00 66.02 64.16 2ixt s SER 271 CO 0.60 -2.64 1.91 -0.55 0.98 0.00 0.00 173.24 173.54 2ixt h ASN 272 N -1.55 0.99 -0.58 7.02 -1.07 -1.92 0.21 115.58 118.67 2ixt h ASN 272 Ca -0.51 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.76 2ixt h ASN 272 Cb 1.30 -0.21 -0.02 0.00 -2.07 0.00 0.00 38.32 37.32 2ixt h ASN 272 CO 0.58 0.65 -0.04 0.71 0.07 0.00 0.00 177.43 179.40 2ixt h THR 273 N 1.13 1.27 -0.53 6.14 1.35 -1.93 0.10 112.91 120.44 2ixt h THR 273 Ca 0.40 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 2ixt h THR 273 Cb 0.11 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 2ixt h THR 273 CO -0.14 0.43 0.01 1.56 -0.25 0.00 0.00 175.52 177.13 2ixt h GLN 274 N 0.95 0.93 -0.63 4.72 4.20 -1.82 -1.01 115.11 122.45 2ixt h GLN 274 Ca 0.16 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.59 2ixt h GLN 274 Cb 0.61 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2ixt h GLN 274 CO 0.04 0.94 0.41 1.25 -0.67 0.00 0.00 178.83 180.81 2ixt h LEU 275 N 0.80 0.71 -1.17 1.46 5.85 -0.74 -0.59 115.31 121.63 2ixt h LEU 275 Ca 0.15 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2ixt h LEU 275 Cb 0.52 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2ixt h LEU 275 CO 0.03 0.51 0.29 -0.09 -0.34 0.00 0.00 178.44 178.84 2ixt h ARG 276 N 0.84 0.86 -0.44 1.25 2.43 -0.70 -0.42 114.38 118.21 2ixt h ARG 276 Ca 0.23 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2ixt h ARG 276 Cb -0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2ixt h ARG 276 CO -0.06 0.67 -0.05 1.03 -1.51 0.00 0.00 179.97 180.06 2ixt h SER 277 N 0.86 0.80 -0.16 -3.80 0.87 -0.73 -0.90 113.55 110.49 2ixt h SER 277 Ca 0.21 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2ixt h SER 277 Cb 0.10 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 2ixt h SER 277 CO -0.03 0.95 -0.10 -1.13 -0.53 0.00 0.00 176.83 175.98 2ixt h ASN 278 N 0.64 -0.34 -0.70 6.23 -0.73 -0.38 -0.18 115.58 120.13 2ixt h ASN 278 Ca 0.12 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 2ixt h ASN 278 Cb 0.56 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 2ixt h ASN 278 CO 0.03 -0.14 0.32 0.25 -0.37 0.00 0.00 177.43 177.52 2ixt h LEU 279 N -0.10 0.93 -0.90 0.34 5.85 -1.03 -0.97 115.31 119.43 2ixt h LEU 279 Ca 0.10 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2ixt h LEU 279 Cb 0.25 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2ixt h LEU 279 CO -0.22 0.82 0.52 1.56 -0.34 0.00 0.00 178.44 180.77 2ixt h GLN 280 N 0.98 1.23 -0.35 1.25 4.20 -0.82 -0.95 115.11 120.65 2ixt h GLN 280 Ca 0.24 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 2ixt h GLN 280 Cb 0.15 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2ixt h GLN 280 CO -0.03 0.88 -0.35 0.93 -0.67 0.00 0.00 178.83 179.59 2ixt h GLU 281 N 1.24 0.79 -0.16 1.46 4.39 -0.54 0.14 114.58 121.91 2ixt h GLU 281 Ca 0.32 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.66 2ixt h GLU 281 Cb -0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2ixt h GLU 281 CO -0.06 1.02 -0.04 0.00 -1.16 0.00 0.00 179.01 178.77 2ixt h ARG 282 N 0.66 0.00 -0.47 2.33 2.47 -0.92 -2.10 114.38 116.35 2ixt h ARG 282 Ca 0.06 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2ixt h ARG 282 Cb 0.90 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 2ixt h ARG 282 CO 0.08 0.00 0.21 0.00 0.56 0.00 0.00 179.97 180.83 2ixt h ALA 283 N 1.16 0.61 -0.83 0.04 0.00 -0.93 -2.60 119.26 116.70 2ixt h ALA 283 Ca 0.08 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ixt h ALA 283 Cb 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2ixt h ALA 283 CO -0.16 0.19 0.54 -0.22 0.00 0.00 0.00 179.25 179.60 2ixt h LYS 284 N 0.62 0.75 0.00 0.00 3.64 -0.69 -0.80 116.57 120.09 2ixt h LYS 284 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2ixt h LYS 284 Cb 0.14 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2ixt h LYS 284 CO -0.02 0.49 0.00 -1.13 -2.27 0.00 0.00 179.45 176.53 2ixt n SER 285 N -4.52 0.00 -3.70 4.20 3.41 -0.82 -3.92 113.62 108.27 2ixt n SER 285 Ca 0.14 0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 58.92 2ixt n SER 285 Cb 0.34 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 2ixt n SER 285 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ixt s VAL 286 N -2.95 1.83 0.07 -3.33 1.01 -0.31 -5.06 120.40 111.65 2ixt s VAL 286 Ca 0.09 -3.48 -0.31 0.00 0.00 0.00 0.00 61.98 58.28 2ixt s VAL 286 Cb 0.11 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 2ixt s VAL 286 CO 0.30 -1.06 1.44 -0.62 0.00 0.00 0.00 175.10 175.16 2ixt s ASP 287 N -0.68 6.79 -0.11 3.32 2.15 -1.25 -1.14 116.67 125.75 2ixt s ASP 287 Ca 0.26 2.29 -0.16 0.00 0.43 0.00 0.00 52.55 55.37 2ixt s ASP 287 Cb -0.05 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 2ixt s ASP 287 CO -0.15 -0.72 0.41 -0.63 -0.17 0.00 0.00 175.17 173.91 2ixt s ILE 288 N 1.82 5.19 0.00 4.11 -1.09 -1.26 -4.90 121.20 125.06 2ixt s ILE 288 Ca 0.66 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 2ixt s ILE 288 Cb -0.36 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2ixt s ILE 288 CO 0.29 0.40 0.40 0.29 -1.23 0.00 0.00 174.94 175.09 2ixt n LYS 289 N 3.26 -0.02 -4.22 2.79 5.02 -1.26 -4.07 118.16 119.66 2ixt n LYS 289 Ca -0.10 -0.46 -0.33 0.00 -2.02 0.00 0.00 58.31 55.39 2ixt n LYS 289 Cb 0.52 -0.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.67 2ixt n LYS 289 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ixt s GLY 290 N -0.13 1.93 0.00 0.72 0.00 -1.24 -4.40 107.32 104.20 2ixt s GLY 290 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2ixt s GLY 290 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 172.99 2ixt n GLY 291 N 1.51 2.57 3.72 0.20 0.00 -1.26 -1.10 105.19 110.83 2ixt n GLY 291 Ca -0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2ixt n GLY 291 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ixt s TYR 292 N -2.99 3.03 0.00 1.61 1.51 -1.26 -1.29 117.35 117.95 2ixt s TYR 292 Ca 0.00 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 2ixt s TYR 292 Cb 0.00 -3.96 0.00 0.00 -0.11 0.00 0.00 41.96 37.89 2ixt s TYR 292 CO 0.00 -3.58 0.00 0.41 -1.11 0.00 0.00 175.55 171.27 2ixt n GLY 293 N 3.80 2.46 3.77 0.71 0.00 -1.26 -4.68 105.19 109.99 2ixt n GLY 293 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2ixt n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ixt s ALA 294 N -2.32 3.04 0.21 4.61 0.00 -0.41 -4.29 121.76 122.59 2ixt s ALA 294 Ca 0.00 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 2ixt s ALA 294 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2ixt s ALA 294 CO 0.00 -0.54 0.43 0.00 0.00 0.00 0.00 175.76 175.65 2ixt s ALA 295 N -1.53 -0.36 0.21 0.00 0.00 -1.26 -4.79 121.76 114.04 2ixt s ALA 295 Ca 0.61 -0.69 -0.32 0.00 0.00 0.00 0.00 51.96 51.55 2ixt s ALA 295 Cb -0.28 0.94 -0.13 0.00 0.00 0.00 0.00 23.12 23.65 2ixt s ALA 295 CO 0.34 -0.77 1.58 -0.89 0.00 0.00 0.00 175.76 176.02 2ixt n ILE 296 N -0.32 0.39 -3.21 0.00 5.41 -1.26 -4.51 119.36 115.87 2ixt n ILE 296 Ca -0.06 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.59 2ixt n ILE 296 Cb 0.62 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 2ixt n ILE 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ixt n GLY 297 N 3.04 -1.70 3.70 7.39 0.00 -1.26 -4.84 105.19 111.51 2ixt n GLY 297 Ca 0.14 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2ixt n GLY 297 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ixt s ASP 298 N -4.00 6.84 0.17 1.61 3.68 -1.26 -4.79 116.67 118.92 2ixt s ASP 298 Ca 0.00 2.19 -0.02 0.00 2.13 0.00 0.00 52.55 56.85 2ixt s ASP 298 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 42.92 38.87 2ixt s ASP 298 CO 0.00 -0.71 0.12 1.51 0.13 0.00 0.00 175.17 176.23 2ixt s ASP 299 N 1.71 0.20 0.00 -0.34 -4.77 -0.83 -3.07 116.67 109.56 2ixt s ASP 299 Ca 0.65 -1.28 0.30 0.00 -3.30 0.00 0.00 52.55 48.91 2ixt s ASP 299 Cb -0.33 0.36 1.42 0.00 -1.09 0.00 0.00 42.92 43.28 2ixt s ASP 299 CO 0.28 -0.81 1.96 0.00 0.70 0.00 0.00 175.17 177.30 2ixt n TYR 300 N -0.20 0.00 -0.02 2.11 0.18 -1.26 -0.41 117.16 117.55 2ixt n TYR 300 Ca -0.01 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.56 2ixt n TYR 300 Cb 0.65 -0.09 -0.14 0.00 -0.38 0.00 0.00 39.34 39.39 2ixt n TYR 300 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ixt n ALA 301 N -0.74 0.97 -0.19 -3.48 0.00 -1.26 -0.59 120.51 115.22 2ixt n ALA 301 Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2ixt n ALA 301 Cb 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2ixt n ALA 301 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ixt n SER 302 N -3.49 0.59 0.00 0.00 3.41 -1.22 -4.83 113.62 108.08 2ixt n SER 302 Ca -0.34 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 2ixt n SER 302 Cb 1.03 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2ixt n SER 302 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ixt n GLY 303 N 0.17 2.48 0.19 5.00 0.00 0.45 -3.07 105.19 110.41 2ixt n GLY 303 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.59 2ixt n GLY 303 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2ixt h PHE 304 N 0.00 0.00 0.00 1.61 -1.00 -1.03 -2.21 116.94 114.31 2ixt h PHE 304 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ixt h PHE 304 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ixt h PHE 304 CO 0.00 0.39 0.00 0.41 -1.61 0.00 0.00 178.31 177.50 2ixt n GLY 305 N 0.07 0.76 3.18 -1.45 0.00 -1.17 -3.55 105.19 103.03 2ixt n GLY 305 Ca -0.01 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 2ixt n GLY 305 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ixt s PHE 306 N -3.03 3.47 0.31 1.61 5.99 -0.29 -0.79 117.98 125.24 2ixt s PHE 306 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 56.93 54.60 2ixt s PHE 306 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 43.02 39.71 2ixt s PHE 306 CO 0.00 -0.95 1.21 0.00 -0.00 0.00 0.00 175.22 175.48 2ixt s ALA 307 N 1.27 3.46 0.41 11.12 0.00 -1.26 -4.46 121.76 132.30 2ixt s ALA 307 Ca 0.06 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.16 2ixt s ALA 307 Cb -0.24 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2ixt s ALA 307 CO -0.02 -0.42 0.17 1.03 0.00 0.00 0.00 175.76 176.52 2ixt s ARG 308 N -1.63 1.97 0.00 0.00 0.52 -1.26 -4.91 118.95 113.64 2ixt s ARG 308 Ca 0.47 -2.21 0.22 0.00 -0.52 0.00 0.00 55.73 53.69 2ixt s ARG 308 Cb -0.36 -0.42 1.33 0.00 0.52 0.00 0.00 34.95 36.02 2ixt s ARG 308 CO 0.47 -0.56 1.70 1.33 0.02 0.00 0.00 175.30 178.27