#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe3 s SER 2 N 0.00 3.67 0.31 6.12 1.04 -1.19 -4.99 113.70 118.66 1xe3 s SER 2 Ca 0.00 0.36 0.16 0.00 0.48 0.00 0.00 55.95 56.95 1xe3 s SER 2 Cb 0.00 -0.58 0.31 0.00 0.10 0.00 0.00 66.02 65.85 1xe3 s SER 2 CO 0.00 -2.39 1.55 1.62 0.98 0.00 0.00 173.24 175.01 1xe3 h VAL 3 N -1.34 0.88 -0.01 5.02 3.04 -1.99 -3.32 116.25 118.53 1xe3 h VAL 3 Ca -0.44 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.27 1xe3 h VAL 3 Cb 1.27 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.79 1xe3 h VAL 3 CO 0.47 0.46 -0.03 1.41 -1.01 0.00 0.00 177.57 178.86 1xe3 n HIS 4 N -3.34 0.00 -4.32 3.17 -0.00 -1.26 -4.94 115.22 104.53 1xe3 n HIS 4 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 1xe3 n HIS 4 Cb 0.65 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.48 1xe3 n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1xe3 s ILE 5 N -0.76 0.90 -2.00 1.59 1.01 -1.25 -4.75 121.20 115.94 1xe3 s ILE 5 Ca 0.09 -0.32 0.20 0.00 0.00 0.00 0.00 60.65 60.62 1xe3 s ILE 5 Cb 0.07 -0.87 0.57 0.00 0.01 0.00 0.00 42.46 42.23 1xe3 s ILE 5 CO 0.12 0.31 1.47 -1.84 0.00 0.00 0.00 174.94 175.00 1xe3 n GLU 6 N 4.11 2.49 -1.90 2.79 0.28 -1.26 -3.19 120.64 123.95 1xe3 n GLU 6 Ca -0.21 -2.32 -0.38 0.00 -0.16 0.00 0.00 57.16 54.08 1xe3 n GLU 6 Cb 0.51 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.90 1xe3 n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xe3 s ALA 7 N -1.14 2.97 0.47 -1.84 0.00 -1.21 -4.96 121.76 116.06 1xe3 s ALA 7 Ca 0.43 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.53 1xe3 s ALA 7 Cb 0.22 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1xe3 s ALA 7 CO 0.29 -1.15 0.89 0.15 0.00 0.00 0.00 175.76 175.95 1xe3 s LYS 8 N -2.71 3.84 0.15 0.00 1.02 -1.26 -4.52 119.74 116.25 1xe3 s LYS 8 Ca 0.67 0.71 -0.34 0.00 0.02 0.00 0.00 55.97 57.02 1xe3 s LYS 8 Cb -0.39 -2.25 -0.14 0.00 -0.52 0.00 0.00 37.83 34.54 1xe3 s LYS 8 CO 0.47 -0.19 1.56 1.04 -0.92 0.00 0.00 175.35 177.31 1xe3 n GLN 9 N -1.57 2.05 0.00 1.68 1.13 -1.26 -1.87 117.38 117.53 1xe3 n GLN 9 Ca 0.05 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 1xe3 n GLN 9 Cb 0.54 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 28.39 1xe3 n GLN 9 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xe3 n GLY 10 N 3.34 0.56 0.10 1.08 0.00 -1.26 -4.92 105.19 104.08 1xe3 n GLY 10 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1xe3 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xe3 n GLU 11 N -2.00 0.26 -4.27 1.61 1.02 -0.78 -4.74 120.64 111.74 1xe3 n GLU 11 Ca 0.00 0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 57.00 1xe3 n GLU 11 Cb 0.00 -1.79 -0.12 0.00 -0.02 0.00 0.00 31.44 29.50 1xe3 n GLU 11 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xe3 s ILE 12 N -3.11 3.87 0.77 -3.67 1.01 -1.26 -4.69 121.20 114.13 1xe3 s ILE 12 Ca 0.10 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1xe3 s ILE 12 Cb 0.12 -2.72 0.06 0.00 0.01 0.00 0.00 42.46 39.93 1xe3 s ILE 12 CO 0.61 0.47 1.11 0.00 0.00 0.00 0.00 174.94 177.12 1xe3 s ALA 13 N 0.63 2.17 0.40 9.38 0.00 -1.26 -4.95 121.76 128.12 1xe3 s ALA 13 Ca -0.02 0.40 0.17 0.00 0.00 0.00 0.00 51.96 52.51 1xe3 s ALA 13 Cb -0.14 -3.32 1.05 0.00 0.00 0.00 0.00 23.12 20.71 1xe3 s ALA 13 CO 0.02 -1.83 1.81 0.93 0.00 0.00 0.00 175.76 176.69 1xe3 h GLU 14 N -0.99 0.43 -6.03 0.00 5.08 -1.88 -3.43 114.58 107.77 1xe3 h GLU 14 Ca -0.44 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.21 1xe3 h GLU 14 Cb 1.24 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.11 1xe3 h GLU 14 CO 0.50 0.29 -0.83 -1.12 -1.00 0.00 0.00 179.01 176.84 1xe3 s SER 15 N -5.45 3.48 -0.02 1.42 0.01 -1.26 -0.46 113.70 111.42 1xe3 s SER 15 Ca -0.09 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 1xe3 s SER 15 Cb 0.24 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.56 1xe3 s SER 15 CO 0.79 0.27 0.04 -0.51 0.41 0.00 0.00 173.24 174.24 1xe3 s ILE 16 N -0.27 -0.03 0.08 1.44 2.07 -0.24 -1.14 121.20 123.11 1xe3 s ILE 16 Ca 0.00 0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.18 1xe3 s ILE 16 Cb -0.13 -0.08 -0.06 0.00 0.13 0.00 0.00 42.46 42.32 1xe3 s ILE 16 CO 0.03 0.04 0.50 -0.76 -1.91 0.00 0.00 174.94 172.83 1xe3 s LEU 17 N 0.49 4.43 -0.67 8.50 1.43 -0.42 -1.70 118.68 130.74 1xe3 s LEU 17 Ca -0.04 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1xe3 s LEU 17 Cb -0.06 -2.94 0.16 0.00 0.03 0.00 0.00 46.19 43.39 1xe3 s LEU 17 CO -0.02 0.22 0.46 -0.76 0.23 0.00 0.00 176.35 176.49 1xe3 s LEU 18 N -1.46 4.83 0.00 1.79 1.43 0.87 -1.14 118.68 125.00 1xe3 s LEU 18 Ca 0.31 -3.50 0.28 0.00 -1.03 0.00 0.00 54.13 50.19 1xe3 s LEU 18 Cb -0.17 -1.70 1.58 0.00 0.03 0.00 0.00 46.19 45.94 1xe3 s LEU 18 CO 0.17 -0.17 2.01 -0.81 0.23 0.00 0.00 176.35 177.79 1xe3 n PRO 19 N 2.50 0.68 0.00 1.29 -0.04 -1.25 -1.95 135.00 136.22 1xe3 n PRO 19 Ca 0.15 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1xe3 n PRO 19 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1xe3 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xe3 n GLY 20 N 0.92 1.61 2.67 0.55 0.00 -1.26 -4.72 105.19 104.96 1xe3 n GLY 20 Ca 0.18 -0.48 -0.47 0.00 0.00 0.00 0.00 46.02 45.25 1xe3 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xe3 n ASP 21 N 7.54 0.62 0.19 1.61 -0.08 -1.26 -1.51 116.55 123.67 1xe3 n ASP 21 Ca 0.00 0.86 0.16 0.00 -1.51 0.00 0.00 54.79 54.29 1xe3 n ASP 21 Cb 0.00 -0.65 0.78 0.00 2.34 0.00 0.00 41.12 43.59 1xe3 n ASP 21 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xe3 h PRO 22 N 3.21 0.00 0.00 -0.67 0.13 -1.88 -0.95 132.00 131.84 1xe3 h PRO 22 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1xe3 h PRO 22 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1xe3 h PRO 22 CO 0.64 0.00 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.04 1xe3 h LEU 23 N 0.00 0.00 -0.41 1.56 3.38 -1.92 -2.36 115.31 115.55 1xe3 h LEU 23 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1xe3 h LEU 23 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xe3 h LEU 23 CO -0.00 0.30 -0.70 0.03 0.09 0.00 0.00 178.44 178.16 1xe3 h ARG 24 N 0.00 0.46 -0.85 1.13 3.08 -1.52 -2.09 114.38 114.59 1xe3 h ARG 24 Ca -0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1xe3 h ARG 24 Cb 0.86 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 1xe3 h ARG 24 CO 0.04 0.98 0.52 0.00 -1.07 0.00 0.00 179.97 180.44 1xe3 h ALA 25 N 0.92 1.08 -0.20 0.04 0.00 -1.26 0.87 119.26 120.72 1xe3 h ALA 25 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xe3 h ALA 25 Cb 1.27 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xe3 h ALA 25 CO 0.12 0.54 -0.07 -0.22 0.00 0.00 0.00 179.25 179.62 1xe3 h LYS 26 N 1.16 0.41 -0.49 0.00 3.64 -1.46 -0.88 116.57 118.94 1xe3 h LYS 26 Ca 0.31 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1xe3 h LYS 26 Cb -0.06 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.67 1xe3 h LYS 26 CO -0.06 0.68 0.03 -0.92 -2.27 0.00 0.00 179.45 176.91 1xe3 h TYR 27 N 0.11 0.03 -0.17 1.91 3.20 -1.11 -0.96 116.97 119.98 1xe3 h TYR 27 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xe3 h TYR 27 Cb 0.54 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1xe3 h TYR 27 CO 0.06 -0.08 0.03 0.82 -1.64 0.00 0.00 178.16 177.35 1xe3 h ILE 28 N 0.15 1.22 -0.00 1.81 2.04 -0.68 -1.83 117.51 120.22 1xe3 h ILE 28 Ca 0.25 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1xe3 h ILE 28 Cb 0.37 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1xe3 h ILE 28 CO -0.39 0.21 -0.20 0.00 0.00 0.00 0.00 178.15 177.78 1xe3 h ALA 29 N 0.83 -0.24 -0.27 1.87 0.00 -0.91 -1.24 119.26 119.30 1xe3 h ALA 29 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xe3 h ALA 29 Cb 0.30 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xe3 h ALA 29 CO 0.00 -0.69 -0.30 0.93 0.00 0.00 0.00 179.25 179.19 1xe3 h GLU 30 N -0.31 0.56 0.07 0.00 5.08 -1.14 -0.14 114.58 118.69 1xe3 h GLU 30 Ca 0.06 -0.24 -0.29 0.00 -1.00 0.00 0.00 59.36 57.89 1xe3 h GLU 30 Cb 0.39 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1xe3 h GLU 30 CO -0.18 0.80 -1.52 1.15 -1.00 0.00 0.00 179.01 178.26 1xe3 h THR 31 N 0.48 1.13 0.00 1.13 2.02 -1.26 -3.41 112.91 113.01 1xe3 h THR 31 Ca 0.06 -2.85 -0.05 0.00 0.77 0.00 0.00 66.41 64.34 1xe3 h THR 31 Cb 0.77 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 1xe3 h THR 31 CO 0.06 0.76 -1.46 0.49 0.37 0.00 0.00 175.52 175.74 1xe3 n PHE 32 N -3.33 0.00 -4.04 3.16 3.72 -0.47 -5.05 117.46 111.44 1xe3 n PHE 32 Ca -0.15 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.02 1xe3 n PHE 32 Cb 1.03 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 39.26 1xe3 n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xe3 s LEU 33 N -3.96 4.04 0.25 4.37 1.02 -0.07 -4.78 118.68 119.54 1xe3 s LEU 33 Ca -0.04 -0.08 0.11 0.00 0.02 0.00 0.00 54.13 54.15 1xe3 s LEU 33 Cb 0.05 -2.59 -0.05 0.00 0.02 0.00 0.00 46.19 43.62 1xe3 s LEU 33 CO 0.36 -0.02 -0.21 -1.61 0.02 0.00 0.00 176.35 174.89 1xe3 s GLU 34 N -3.69 1.59 -1.28 1.70 2.02 -0.56 -4.75 118.70 113.72 1xe3 s GLU 34 Ca 0.33 -1.67 -0.03 0.00 0.02 0.00 0.00 54.97 53.62 1xe3 s GLU 34 Cb -0.09 -1.72 -0.00 0.00 0.10 0.00 0.00 34.13 32.42 1xe3 s GLU 34 CO 0.26 0.33 0.70 -0.25 0.02 0.00 0.00 175.26 176.33 1xe3 n ASP 35 N -0.32 -1.81 -4.77 -0.19 8.00 -1.26 -0.34 116.55 115.86 1xe3 n ASP 35 Ca -0.08 -0.85 -0.38 0.00 0.71 0.00 0.00 54.79 54.19 1xe3 n ASP 35 Cb 0.59 -3.97 -0.06 0.00 -0.02 0.00 0.00 41.12 37.66 1xe3 n ASP 35 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xe3 s VAL 36 N -3.66 5.07 0.07 2.53 -7.23 -1.26 -4.40 120.40 111.52 1xe3 s VAL 36 Ca 0.08 0.96 0.06 0.00 -1.81 0.00 0.00 61.98 61.26 1xe3 s VAL 36 Cb -0.02 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1xe3 s VAL 36 CO 0.82 0.44 -0.08 0.42 -0.31 0.00 0.00 175.10 176.39 1xe3 s THR 37 N -0.17 3.54 -0.46 5.32 -4.23 0.09 -4.97 115.64 114.77 1xe3 s THR 37 Ca 0.26 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.50 1xe3 s THR 37 Cb -0.16 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1xe3 s THR 37 CO 0.13 0.21 0.63 0.00 -0.54 0.00 0.00 174.62 175.04 1xe3 n TYR 39 N 6.21 0.00 -3.70 0.00 0.18 -0.10 -4.89 117.16 114.86 1xe3 n TYR 39 Ca -0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.64 1xe3 n TYR 39 Cb 0.47 -0.28 -0.11 0.00 -0.38 0.00 0.00 39.34 39.04 1xe3 n TYR 39 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1xe3 s ASN 40 N -2.92 -0.46 0.00 9.48 2.47 -1.19 -3.29 114.94 119.04 1xe3 s ASN 40 Ca 0.14 0.80 0.00 0.00 0.42 0.00 0.00 52.86 54.23 1xe3 s ASN 40 Cb 0.18 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.67 1xe3 s ASN 40 CO 0.64 -0.19 0.70 -3.20 -3.72 0.00 0.00 177.10 171.33 1xe3 n ASN 41 N 4.22 1.11 -4.73 -4.21 5.15 -1.26 -2.75 115.26 112.78 1xe3 n ASN 41 Ca -0.24 -1.48 -0.41 0.00 -0.60 0.00 0.00 54.58 51.85 1xe3 n ASN 41 Cb 0.55 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 1xe3 n ASN 41 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xe3 s VAL 42 N -0.48 3.20 -1.61 3.44 0.11 -1.26 -0.41 120.40 123.38 1xe3 s VAL 42 Ca 0.00 0.96 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 1xe3 s VAL 42 Cb 0.00 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1xe3 s VAL 42 CO 0.00 0.13 0.00 0.54 -3.33 0.00 0.00 175.10 172.44 1xe3 n ARG 43 N 2.80 -1.42 -1.65 1.54 1.74 -1.26 -1.56 116.66 116.85 1xe3 n ARG 43 Ca 0.07 0.93 -0.20 0.00 -0.77 0.00 0.00 57.85 57.88 1xe3 n ARG 43 Cb 0.43 -5.22 -0.08 0.00 -1.02 0.00 0.00 32.46 26.57 1xe3 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xe3 n GLY 44 N -0.21 1.72 3.41 -0.13 0.00 0.45 -4.91 105.19 105.51 1xe3 n GLY 44 Ca -0.15 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 1xe3 n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xe3 s MET 45 N -3.81 4.07 0.22 1.61 0.00 -0.60 -4.83 119.30 115.95 1xe3 s MET 45 Ca 0.00 -2.75 -0.30 0.00 0.00 0.00 0.00 55.69 52.64 1xe3 s MET 45 Cb 0.00 -4.84 -0.10 0.00 0.00 0.00 0.00 34.83 29.90 1xe3 s MET 45 CO 0.00 -1.55 1.42 -0.51 0.00 0.00 0.00 175.02 174.38 1xe3 s LEU 46 N 0.56 4.39 -0.01 4.11 1.43 -1.26 -4.63 118.68 123.27 1xe3 s LEU 46 Ca 0.36 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 56.07 1xe3 s LEU 46 Cb -0.06 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 1xe3 s LEU 46 CO -0.04 -0.67 -0.10 -0.83 0.23 0.00 0.00 176.35 174.94 1xe3 s GLY 47 N 0.47 0.51 0.10 -3.19 0.00 -1.11 -1.28 107.32 102.83 1xe3 s GLY 47 Ca 0.60 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.95 1xe3 s GLY 47 CO 0.40 -0.28 -0.11 -1.36 0.00 0.00 0.00 173.10 171.75 1xe3 s PHE 48 N -0.11 1.12 -0.04 1.90 0.40 -0.33 -0.92 117.98 120.00 1xe3 s PHE 48 Ca 0.02 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1xe3 s PHE 48 Cb -0.05 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.89 1xe3 s PHE 48 CO -0.00 0.03 -0.06 0.99 0.70 0.00 0.00 175.22 176.87 1xe3 s THR 49 N -2.44 0.67 0.16 0.64 2.01 -0.20 -1.20 115.64 115.27 1xe3 s THR 49 Ca 0.06 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1xe3 s THR 49 Cb -0.03 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.84 1xe3 s THR 49 CO 0.00 0.24 0.23 0.61 -0.69 0.00 0.00 174.62 175.02 1xe3 n GLY 50 N 3.84 2.55 3.66 4.40 0.00 -0.96 -0.73 105.19 117.96 1xe3 n GLY 50 Ca -0.24 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1xe3 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xe3 s THR 51 N -2.60 3.93 -0.10 2.61 -4.23 0.54 -1.41 115.64 114.38 1xe3 s THR 51 Ca 0.12 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1xe3 s THR 51 Cb -0.01 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 71.04 1xe3 s THR 51 CO 0.09 0.19 0.05 -0.47 -0.54 0.00 0.00 174.62 173.94 1xe3 s TYR 52 N -1.23 0.36 -1.29 3.99 5.04 0.91 -1.50 117.35 123.63 1xe3 s TYR 52 Ca 0.23 -0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 1xe3 s TYR 52 Cb -0.12 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.52 1xe3 s TYR 52 CO 0.15 -0.35 0.56 1.63 -1.34 0.00 0.00 175.55 176.20 1xe3 n LYS 53 N 5.23 -1.88 -0.58 4.97 5.02 -1.26 -1.88 118.16 127.77 1xe3 n LYS 53 Ca -0.06 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1xe3 n LYS 53 Cb 0.49 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 1xe3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xe3 n GLY 54 N -1.95 0.98 3.37 0.72 0.00 -1.26 -4.98 105.19 102.08 1xe3 n GLY 54 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1xe3 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe3 s LYS 55 N -0.27 2.56 0.39 1.61 1.02 -0.79 -5.04 119.74 119.22 1xe3 s LYS 55 Ca 0.00 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 1xe3 s LYS 55 Cb 0.00 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 1xe3 s LYS 55 CO 0.00 0.49 1.11 1.03 -0.92 0.00 0.00 175.35 177.06 1xe3 s ARG 56 N -0.40 4.13 -0.18 1.68 0.52 -1.26 -0.06 118.95 123.37 1xe3 s ARG 56 Ca 0.04 1.69 -0.24 0.00 -0.52 0.00 0.00 55.73 56.71 1xe3 s ARG 56 Cb -0.12 -2.65 0.06 0.00 0.52 0.00 0.00 34.95 32.76 1xe3 s ARG 56 CO 0.02 -0.22 0.62 0.54 0.02 0.00 0.00 175.30 176.29 1xe3 s VAL 57 N -1.50 0.00 0.32 3.52 0.11 -0.50 -4.78 120.40 117.57 1xe3 s VAL 57 Ca 0.57 -0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1xe3 s VAL 57 Cb -0.27 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 1xe3 s VAL 57 CO 0.34 -0.02 0.32 -0.44 -3.33 0.00 0.00 175.10 171.97 1xe3 s SER 58 N -0.14 5.54 -0.13 3.54 0.01 -0.29 -2.27 113.70 119.96 1xe3 s SER 58 Ca -0.04 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 1xe3 s SER 58 Cb -0.03 -1.14 0.06 0.00 0.21 0.00 0.00 66.02 65.11 1xe3 s SER 58 CO 0.03 -0.31 0.16 -0.69 0.41 0.00 0.00 173.24 172.84 1xe3 s VAL 59 N -2.23 -0.24 -0.18 3.43 1.01 -0.34 -1.30 120.40 120.54 1xe3 s VAL 59 Ca 0.40 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1xe3 s VAL 59 Cb -0.07 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1xe3 s VAL 59 CO 0.27 -0.01 -0.09 -1.58 0.00 0.00 0.00 175.10 173.69 1xe3 s GLN 60 N 2.27 1.90 0.39 2.72 2.00 -0.29 -1.19 119.66 127.46 1xe3 s GLN 60 Ca 0.04 -0.72 -0.27 0.00 -2.00 0.00 0.00 55.36 52.41 1xe3 s GLN 60 Cb -0.14 -2.27 -0.11 0.00 0.80 0.00 0.00 33.01 31.30 1xe3 s GLN 60 CO -0.08 -0.41 1.37 0.41 -0.50 0.00 0.00 175.29 176.08 1xe3 n GLY 61 N 4.75 0.83 3.35 2.59 0.00 -0.41 -3.97 105.19 112.32 1xe3 n GLY 61 Ca -0.14 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1xe3 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xe3 s THR 62 N -1.15 0.96 0.43 2.61 -4.23 -0.57 -4.74 115.64 108.96 1xe3 s THR 62 Ca 0.57 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1xe3 s THR 62 Cb -0.50 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1xe3 s THR 62 CO 0.61 -0.21 0.59 0.61 -0.54 0.00 0.00 174.62 175.68 1xe3 n GLY 63 N -0.47 0.46 3.75 3.99 0.00 -1.26 -4.07 105.19 107.59 1xe3 n GLY 63 Ca -0.04 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1xe3 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xe3 s MET 64 N -4.02 4.33 0.00 1.61 -1.94 -1.26 -4.49 119.30 113.53 1xe3 s MET 64 Ca 0.38 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 55.04 1xe3 s MET 64 Cb -0.02 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.44 1xe3 s MET 64 CO 0.26 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.95 1xe3 n GLY 65 N 2.76 2.28 0.21 -0.03 0.00 -1.23 -4.52 105.19 104.66 1xe3 n GLY 65 Ca -0.06 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 1xe3 n GLY 65 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xe3 h VAL 66 N 0.00 0.54 -0.60 1.61 2.07 -1.77 -2.58 116.25 115.52 1xe3 h VAL 66 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1xe3 h VAL 66 Cb 0.00 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1xe3 h VAL 66 CO 0.00 0.00 0.28 -0.65 0.02 0.00 0.00 177.57 177.22 1xe3 h PRO 67 N -0.13 0.85 -0.05 1.57 0.11 -1.91 -0.55 132.00 131.88 1xe3 h PRO 67 Ca 0.14 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1xe3 h PRO 67 Cb 0.35 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1xe3 h PRO 67 CO -0.34 0.67 -0.04 1.03 -0.21 0.00 0.00 178.00 179.11 1xe3 h SER 68 N 0.85 0.13 0.21 -2.05 0.87 -1.76 -2.94 113.55 108.86 1xe3 h SER 68 Ca 0.21 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1xe3 h SER 68 Cb 0.11 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1xe3 h SER 68 CO -0.03 0.54 -0.39 -0.29 -0.53 0.00 0.00 176.83 176.14 1xe3 h ILE 69 N -0.29 1.30 -0.95 2.23 2.10 -1.36 -2.58 117.51 117.95 1xe3 h ILE 69 Ca 0.01 -1.45 0.02 0.00 1.08 0.00 0.00 64.86 64.52 1xe3 h ILE 69 Cb 0.50 1.64 -0.05 0.00 -1.09 0.00 0.00 36.82 37.82 1xe3 h ILE 69 CO 0.01 0.44 0.62 0.28 -1.08 0.00 0.00 178.15 178.42 1xe3 h SER 70 N 0.20 1.06 0.54 2.19 0.02 -1.13 0.12 113.55 116.55 1xe3 h SER 70 Ca 0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1xe3 h SER 70 Cb 0.78 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1xe3 h SER 70 CO 0.06 0.75 -0.42 0.40 -1.14 0.00 0.00 176.83 176.48 1xe3 h ILE 71 N 1.25 0.15 -0.62 3.27 2.04 -1.28 -1.67 117.51 120.65 1xe3 h ILE 71 Ca 0.36 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.14 1xe3 h ILE 71 Cb -0.08 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1xe3 h ILE 71 CO -0.09 0.00 0.08 1.88 0.00 0.00 0.00 178.15 180.02 1xe3 h TYR 72 N -0.94 1.12 -0.36 1.37 -1.99 -1.30 -2.47 116.97 112.40 1xe3 h TYR 72 Ca -0.06 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.45 1xe3 h TYR 72 Cb 0.80 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1xe3 h TYR 72 CO -0.17 0.96 0.02 0.28 -0.00 0.00 0.00 178.16 179.25 1xe3 h VAL 73 N 0.96 1.25 -0.39 -2.88 2.07 -0.79 -0.53 116.25 115.95 1xe3 h VAL 73 Ca 0.19 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1xe3 h VAL 73 Cb 0.46 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1xe3 h VAL 73 CO 0.02 0.31 0.15 0.78 0.02 0.00 0.00 177.57 178.85 1xe3 h ASN 74 N 0.45 0.17 0.27 0.57 4.21 -1.14 -1.60 115.58 118.51 1xe3 h ASN 74 Ca 0.11 0.04 -0.15 0.00 1.21 0.00 0.00 56.30 57.50 1xe3 h ASN 74 Cb 0.43 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1xe3 h ASN 74 CO 0.01 0.14 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.36 1xe3 h GLU 75 N 0.31 0.33 -0.02 0.81 5.08 -1.36 -0.53 114.58 119.20 1xe3 h GLU 75 Ca 0.17 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xe3 h GLU 75 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xe3 h GLU 75 CO -0.17 0.83 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.55 1xe3 h LEU 76 N 0.25 -0.15 0.12 1.33 3.38 -0.86 -1.84 115.31 117.54 1xe3 h LEU 76 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xe3 h LEU 76 Cb 1.11 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xe3 h LEU 76 CO 0.10 -0.07 -0.06 0.40 0.09 0.00 0.00 178.44 178.89 1xe3 h ILE 77 N -0.08 1.03 -0.11 1.22 2.04 -1.22 -2.73 117.51 117.66 1xe3 h ILE 77 Ca 0.03 -1.18 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 1xe3 h ILE 77 Cb 0.12 1.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1xe3 h ILE 77 CO -0.07 0.26 -0.44 1.56 0.00 0.00 0.00 178.15 179.45 1xe3 h GLN 78 N -0.78 0.49 0.00 2.37 1.08 -1.18 -2.74 115.11 114.35 1xe3 h GLN 78 Ca -0.02 -0.38 -0.20 0.00 -1.45 0.00 0.00 58.65 56.60 1xe3 h GLN 78 Cb 0.55 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1xe3 h GLN 78 CO 0.03 1.01 -1.53 0.43 -0.95 0.00 0.00 178.83 177.82 1xe3 n SER 79 N -4.28 0.81 0.00 1.46 7.64 -0.70 -4.59 113.62 113.96 1xe3 n SER 79 Ca -0.08 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1xe3 n SER 79 Cb 0.57 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1xe3 n SER 79 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xe3 n TYR 80 N -2.91 0.00 -2.15 1.43 4.01 -1.06 -4.86 117.16 111.62 1xe3 n TYR 80 Ca -0.12 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.90 57.37 1xe3 n TYR 80 Cb 0.90 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.90 1xe3 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xe3 n GLY 81 N -0.13 0.00 3.70 2.72 0.00 -1.03 -4.87 105.19 105.59 1xe3 n GLY 81 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xe3 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe3 s VAL 82 N -2.59 4.00 -0.03 1.61 1.01 -1.05 -4.64 120.40 118.71 1xe3 s VAL 82 Ca 0.00 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1xe3 s VAL 82 Cb 0.00 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1xe3 s VAL 82 CO 0.00 0.07 0.13 0.29 0.00 0.00 0.00 175.10 175.59 1xe3 n LYS 83 N 4.41 1.05 -3.93 2.72 4.76 0.39 -4.52 118.16 123.04 1xe3 n LYS 83 Ca 0.10 -0.05 -0.23 0.00 -2.87 0.00 0.00 58.31 55.26 1xe3 n LYS 83 Cb 0.46 -1.19 -0.17 0.00 -1.84 0.00 0.00 35.03 32.29 1xe3 n LYS 83 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xe3 s ASN 84 N -3.23 1.48 -0.06 4.39 0.01 -1.00 -0.76 114.94 115.77 1xe3 s ASN 84 Ca -0.03 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1xe3 s ASN 84 Cb 0.04 -0.51 0.02 0.00 0.41 0.00 0.00 41.25 41.21 1xe3 s ASN 84 CO 0.32 -0.13 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.99 1xe3 s LEU 85 N 1.58 1.04 -0.19 0.60 1.02 -0.06 -1.07 118.68 121.59 1xe3 s LEU 85 Ca -0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 1xe3 s LEU 85 Cb -0.13 -0.50 0.05 0.00 0.02 0.00 0.00 46.19 45.64 1xe3 s LEU 85 CO -0.04 -0.11 -0.01 -0.63 0.02 0.00 0.00 176.35 175.58 1xe3 s ILE 86 N 1.40 0.93 -0.16 -0.59 1.01 -0.69 -1.78 121.20 121.31 1xe3 s ILE 86 Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1xe3 s ILE 86 Cb -0.13 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1xe3 s ILE 86 CO -0.03 -0.07 1.23 -0.60 0.00 0.00 0.00 174.94 175.47 1xe3 s ARG 87 N 1.69 4.25 -0.36 2.79 6.06 0.14 -0.09 118.95 133.42 1xe3 s ARG 87 Ca -0.01 1.63 -0.02 0.00 -2.50 0.00 0.00 55.73 54.82 1xe3 s ARG 87 Cb -0.17 -3.73 0.08 0.00 0.06 0.00 0.00 34.95 31.20 1xe3 s ARG 87 CO -0.07 -0.67 0.11 0.08 -2.50 0.00 0.00 175.30 172.25 1xe3 s VAL 88 N 3.31 3.15 0.00 7.11 1.01 -0.82 -1.15 120.40 133.00 1xe3 s VAL 88 Ca 0.54 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1xe3 s VAL 88 Cb -0.21 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xe3 s VAL 88 CO 0.15 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1xe3 n GLY 89 N 4.60 4.38 3.59 4.51 0.00 -0.76 -4.17 105.19 117.33 1xe3 n GLY 89 Ca -0.06 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 1xe3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xe3 s THR 90 N -1.67 1.39 0.21 2.61 -4.23 -1.26 -1.73 115.64 110.96 1xe3 s THR 90 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 1xe3 s THR 90 Cb 0.00 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.21 1xe3 s THR 90 CO 0.00 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 174.68 1xe3 s GLY 92 N -2.86 1.83 0.24 0.00 0.00 -0.36 -1.57 107.32 104.60 1xe3 s GLY 92 Ca 0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1xe3 s GLY 92 CO -0.03 0.23 1.30 0.00 0.00 0.00 0.00 173.10 174.61 1xe3 s ALA 93 N 0.87 3.51 0.00 3.20 0.00 0.53 0.41 121.76 130.29 1xe3 s ALA 93 Ca 0.03 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1xe3 s ALA 93 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1xe3 s ALA 93 CO 0.02 -0.54 0.41 0.44 0.00 0.00 0.00 175.76 176.10 1xe3 n ILE 94 N 2.08 0.00 -4.31 0.00 -5.35 -0.47 -1.05 119.36 110.27 1xe3 n ILE 94 Ca 0.04 -0.45 -0.34 0.00 -0.27 0.00 0.00 62.75 61.73 1xe3 n ILE 94 Cb 0.43 1.10 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 1xe3 n ILE 94 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1xe3 s GLN 95 N -0.07 3.38 0.42 6.28 -0.44 -1.20 -4.37 119.66 123.66 1xe3 s GLN 95 Ca 0.00 -0.43 0.18 0.00 -2.50 0.00 0.00 55.36 52.61 1xe3 s GLN 95 Cb 0.00 -2.91 1.09 0.00 -1.64 0.00 0.00 33.01 29.55 1xe3 s GLN 95 CO 0.00 0.49 1.87 1.57 0.50 0.00 0.00 175.29 179.72 1xe3 h LYS 96 N 5.90 0.38 -0.02 1.67 2.10 -1.93 -2.51 116.57 122.16 1xe3 h LYS 96 Ca -0.42 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1xe3 h LYS 96 Cb 1.19 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1xe3 h LYS 96 CO 0.60 0.25 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.94 1xe3 n ASP 97 N -4.49 2.28 -4.77 7.07 10.43 -1.26 -4.95 116.55 120.86 1xe3 n ASP 97 Ca 0.18 -1.64 -0.40 0.00 2.57 0.00 0.00 54.79 55.50 1xe3 n ASP 97 Cb 0.66 0.15 -0.03 0.00 1.84 0.00 0.00 41.12 43.73 1xe3 n ASP 97 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xe3 s VAL 98 N -1.69 3.20 0.17 2.53 1.01 -0.95 -5.04 120.40 119.64 1xe3 s VAL 98 Ca 0.19 1.13 0.10 0.00 0.00 0.00 0.00 61.98 63.41 1xe3 s VAL 98 Cb 0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1xe3 s VAL 98 CO 0.29 0.21 -0.20 -0.54 0.00 0.00 0.00 175.10 174.87 1xe3 s LYS 99 N -1.85 1.68 0.56 2.72 -0.14 -1.26 -4.92 119.74 116.52 1xe3 s LYS 99 Ca 0.50 -1.39 -0.21 0.00 -1.36 0.00 0.00 55.97 53.51 1xe3 s LYS 99 Cb -0.33 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1xe3 s LYS 99 CO 0.43 0.43 1.36 0.14 -0.76 0.00 0.00 175.35 176.95 1xe3 s VAL 100 N -1.52 2.01 0.00 3.17 -7.23 -1.26 -1.99 120.40 113.58 1xe3 s VAL 100 Ca 0.20 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1xe3 s VAL 100 Cb -0.09 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1xe3 s VAL 100 CO 0.11 -0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.44 1xe3 n ARG 101 N -1.12 0.00 -2.01 4.82 1.74 0.28 -4.97 116.66 115.40 1xe3 n ARG 101 Ca 0.11 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.79 1xe3 n ARG 101 Cb 0.45 -2.41 -0.00 0.00 -1.02 0.00 0.00 32.46 29.48 1xe3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xe3 s ASP 102 N -3.24 6.29 -0.23 0.55 1.01 -0.84 -4.54 116.67 115.66 1xe3 s ASP 102 Ca 0.00 2.71 -0.06 0.00 0.71 0.00 0.00 52.55 55.91 1xe3 s ASP 102 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1xe3 s ASP 102 CO 0.00 -0.87 0.04 0.68 0.21 0.00 0.00 175.17 175.22 1xe3 s VAL 103 N -1.24 4.12 -0.25 -1.27 -7.23 0.24 -0.91 120.40 113.87 1xe3 s VAL 103 Ca 0.57 -0.24 -0.10 0.00 -1.81 0.00 0.00 61.98 60.40 1xe3 s VAL 103 Cb -0.39 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 1xe3 s VAL 103 CO 0.51 0.38 0.14 -0.63 -0.31 0.00 0.00 175.10 175.19 1xe3 s ILE 104 N 1.35 5.04 -0.29 -0.62 1.09 0.11 -0.58 121.20 127.30 1xe3 s ILE 104 Ca 0.05 0.07 -0.09 0.00 -1.10 0.00 0.00 60.65 59.58 1xe3 s ILE 104 Cb -0.15 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 1xe3 s ILE 104 CO 0.02 0.33 0.14 -0.63 -0.10 0.00 0.00 174.94 174.70 1xe3 s ILE 105 N 1.34 4.67 -0.29 2.92 1.01 -0.18 -0.80 121.20 129.87 1xe3 s ILE 105 Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 1xe3 s ILE 105 Cb -0.15 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 1xe3 s ILE 105 CO 0.06 0.17 0.79 0.00 0.00 0.00 0.00 174.94 175.97 1xe3 s ALA 106 N 1.64 3.57 -0.01 9.38 0.00 -0.91 -2.24 121.76 133.18 1xe3 s ALA 106 Ca 0.06 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 1xe3 s ALA 106 Cb -0.16 -3.28 -0.19 0.00 0.00 0.00 0.00 23.12 19.48 1xe3 s ALA 106 CO 0.06 -1.11 1.20 0.52 0.00 0.00 0.00 175.76 176.44 1xe3 h MET 107 N 7.99 0.18 0.00 0.00 0.00 -0.74 -3.41 114.93 118.94 1xe3 h MET 107 Ca -0.24 -0.12 -0.48 0.00 0.00 0.00 0.00 59.70 58.85 1xe3 h MET 107 Cb 1.10 0.02 -0.12 0.00 0.00 0.00 0.00 31.60 32.60 1xe3 h MET 107 CO 0.87 0.73 -0.45 0.25 0.00 0.00 0.00 176.91 178.32 1xe3 n THR 108 N -4.63 0.00 -4.16 2.22 -2.24 -1.25 -1.59 114.28 102.63 1xe3 n THR 108 Ca -0.08 -2.31 -0.18 0.00 -2.27 0.00 0.00 64.05 59.21 1xe3 n THR 108 Cb 0.38 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 1xe3 n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xe3 s ALA 109 N -3.22 0.55 0.67 6.98 0.00 -1.26 -2.85 121.76 122.63 1xe3 s ALA 109 Ca 0.32 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1xe3 s ALA 109 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1xe3 s ALA 109 CO 0.23 0.05 1.05 0.00 0.00 0.00 0.00 175.76 177.09 1xe3 s THR 111 N -3.16 0.02 0.32 0.00 -1.32 -1.26 0.07 115.64 110.31 1xe3 s THR 111 Ca 0.57 -0.20 0.14 0.00 -1.21 0.00 0.00 61.69 60.99 1xe3 s THR 111 Cb -0.12 -0.73 0.09 0.00 -1.51 0.00 0.00 72.50 70.22 1xe3 s THR 111 CO 0.54 -0.11 1.78 0.44 -2.21 0.00 0.00 174.62 175.06 1xe3 h ASP 112 N 4.11 0.00 -4.17 8.08 5.19 -1.86 -3.48 116.42 124.28 1xe3 h ASP 112 Ca -0.28 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.61 1xe3 h ASP 112 Cb 1.17 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.79 1xe3 h ASP 112 CO 0.33 0.41 0.39 -0.55 -3.12 0.00 0.00 179.24 176.70 1xe3 s SER 113 N -6.78 4.98 0.00 6.45 0.15 -1.26 -4.86 113.70 112.38 1xe3 s SER 113 Ca -0.02 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.01 1xe3 s SER 113 Cb 0.13 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 62.48 1xe3 s SER 113 CO 0.72 -1.72 1.47 -3.20 1.20 0.00 0.00 173.24 171.71 1xe3 n ASN 114 N -2.29 1.61 -0.35 5.45 5.15 -1.26 -4.65 115.26 118.92 1xe3 n ASN 114 Ca 0.11 -1.32 0.13 0.00 -0.60 0.00 0.00 54.58 52.91 1xe3 n ASN 114 Cb 0.51 0.15 0.33 0.00 -0.53 0.00 0.00 39.78 40.24 1xe3 n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xe3 h MET 115 N 2.20 0.69 0.00 1.20 -0.00 -2.00 -1.13 114.93 115.88 1xe3 h MET 115 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1xe3 h MET 115 Cb 0.62 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1xe3 h MET 115 CO 0.00 0.45 -0.70 -0.91 -0.00 0.00 0.00 176.91 175.76 1xe3 h ASN 116 N 0.71 0.00 0.53 -0.10 -0.26 -1.97 -3.30 115.58 111.19 1xe3 h ASN 116 Ca 0.58 -0.10 -0.18 0.00 -0.56 0.00 0.00 56.30 56.05 1xe3 h ASN 116 Cb 0.95 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.20 1xe3 h ASN 116 CO -0.41 0.05 -0.79 0.03 -1.06 0.00 0.00 177.43 175.26 1xe3 h ARG 117 N 0.00 0.19 -0.43 0.81 3.08 -1.48 -0.61 114.38 115.95 1xe3 h ARG 117 Ca 0.00 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 1xe3 h ARG 117 Cb 0.88 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1xe3 h ARG 117 CO 0.00 0.88 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.53 1xe3 h LEU 118 N 0.12 0.84 -0.07 3.04 3.38 -1.61 -2.86 115.31 118.15 1xe3 h LEU 118 Ca -0.03 -0.29 -0.25 0.00 0.09 0.00 0.00 57.88 57.40 1xe3 h LEU 118 Cb 1.37 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1xe3 h LEU 118 CO 0.12 1.01 -1.04 0.74 0.09 0.00 0.00 178.44 179.36 1xe3 h THR 119 N 0.73 1.36 -2.22 0.22 2.02 -1.59 -3.38 112.91 110.05 1xe3 h THR 119 Ca 0.11 -2.45 -0.59 0.00 0.77 0.00 0.00 66.41 64.25 1xe3 h THR 119 Cb 0.71 2.49 -0.41 0.00 -1.74 0.00 0.00 68.15 69.20 1xe3 h THR 119 CO 0.05 0.74 -0.81 0.49 0.37 0.00 0.00 175.52 176.37 1xe3 n PHE 120 N -3.76 1.83 -1.69 3.16 3.01 -0.25 -5.11 117.46 114.65 1xe3 n PHE 120 Ca -0.09 -3.89 -0.44 0.00 1.01 0.00 0.00 57.45 54.03 1xe3 n PHE 120 Cb 0.88 -0.43 -0.04 0.00 -0.01 0.00 0.00 39.48 39.89 1xe3 n PHE 120 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1xe3 n PRO 121 N 1.30 2.49 -0.65 -1.08 -0.02 -1.08 -1.85 135.00 134.11 1xe3 n PRO 121 Ca 0.26 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1xe3 n PRO 121 Cb 0.45 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1xe3 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xe3 n GLY 122 N 3.90 0.77 3.42 -1.23 0.00 -1.26 -5.04 105.19 105.74 1xe3 n GLY 122 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1xe3 n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xe3 s PHE 123 N -2.83 2.43 -0.40 1.61 0.40 -0.77 -5.10 117.98 113.33 1xe3 s PHE 123 Ca 0.00 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 1xe3 s PHE 123 Cb 0.00 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1xe3 s PHE 123 CO 0.00 0.26 0.65 -0.51 0.70 0.00 0.00 175.22 176.32 1xe3 s ASP 124 N -1.65 6.38 -0.22 1.36 1.01 -1.26 -4.78 116.67 117.51 1xe3 s ASP 124 Ca 0.14 -0.06 -0.17 0.00 0.71 0.00 0.00 52.55 53.17 1xe3 s ASP 124 Cb -0.10 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1xe3 s ASP 124 CO 0.05 -0.69 0.45 0.12 0.21 0.00 0.00 175.17 175.31 1xe3 s PHE 125 N 2.80 3.34 -0.38 4.23 5.36 -1.26 -5.04 117.98 127.02 1xe3 s PHE 125 Ca 0.24 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 1xe3 s PHE 125 Cb -0.14 -2.61 0.10 0.00 -0.34 0.00 0.00 43.02 40.02 1xe3 s PHE 125 CO 0.17 -0.12 0.15 0.00 -1.46 0.00 0.00 175.22 173.96 1xe3 s ALA 126 N 1.70 3.07 0.14 11.12 0.00 -1.26 -5.02 121.76 131.51 1xe3 s ALA 126 Ca 0.20 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.49 1xe3 s ALA 126 Cb -0.15 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 1xe3 s ALA 126 CO 0.09 -1.69 0.92 -1.25 0.00 0.00 0.00 175.76 173.84 1xe3 s PRO 127 N 1.15 4.71 -0.10 0.00 0.04 -1.26 -5.01 135.00 134.52 1xe3 s PRO 127 Ca 0.06 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 1xe3 s PRO 127 Cb -0.22 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1xe3 s PRO 127 CO -0.04 0.33 0.09 0.00 0.04 0.00 0.00 177.00 177.42 1xe3 s ALA 128 N -0.40 3.67 0.72 8.56 0.00 -1.26 -4.09 121.76 128.96 1xe3 s ALA 128 Ca 0.44 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1xe3 s ALA 128 Cb -0.24 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.12 1xe3 s ALA 128 CO 0.30 0.61 1.14 0.00 0.00 0.00 0.00 175.76 177.81 1xe3 s ALA 129 N -0.99 2.25 0.06 0.00 0.00 -0.62 -4.89 121.76 117.58 1xe3 s ALA 129 Ca 0.15 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1xe3 s ALA 129 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1xe3 s ALA 129 CO 0.04 -1.65 1.57 1.21 0.00 0.00 0.00 175.76 176.93 1xe3 s ASN 130 N -2.50 6.67 0.15 0.00 2.47 -0.51 -4.94 114.94 116.28 1xe3 s ASN 130 Ca 0.69 2.40 -0.11 0.00 0.42 0.00 0.00 52.86 56.26 1xe3 s ASN 130 Cb -0.23 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 36.99 1xe3 s ASN 130 CO 0.46 -0.83 1.52 0.15 -3.72 0.00 0.00 177.10 174.68 1xe3 h PHE 131 N 7.98 1.13 -0.39 0.43 3.57 -1.93 -1.65 116.94 126.08 1xe3 h PHE 131 Ca -0.41 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 60.76 1xe3 h PHE 131 Cb 1.20 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1xe3 h PHE 131 CO 0.75 1.12 0.13 -0.44 -2.23 0.00 0.00 178.31 177.64 1xe3 h ASP 132 N 0.82 0.56 -0.43 0.41 3.32 -1.99 0.06 116.42 119.17 1xe3 h ASP 132 Ca 0.09 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1xe3 h ASP 132 Cb 0.85 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1xe3 h ASP 132 CO 0.07 0.61 0.27 -0.07 -1.72 0.00 0.00 179.24 178.40 1xe3 h LEU 133 N 0.49 0.44 -0.01 1.55 3.38 -1.94 -2.42 115.31 116.81 1xe3 h LEU 133 Ca 0.13 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xe3 h LEU 133 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xe3 h LEU 133 CO -0.01 0.32 -0.06 0.25 0.09 0.00 0.00 178.44 179.03 1xe3 h LEU 134 N 0.54 -0.17 -0.70 1.67 6.46 -0.80 -1.45 115.31 120.87 1xe3 h LEU 134 Ca 0.17 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 1xe3 h LEU 134 Cb -0.02 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1xe3 h LEU 134 CO -0.06 -0.09 -0.09 0.07 -0.62 0.00 0.00 178.44 177.65 1xe3 h LYS 135 N -0.10 0.92 -0.33 1.25 2.10 -1.00 -0.68 116.57 118.73 1xe3 h LYS 135 Ca 0.03 -0.31 0.07 0.00 -2.00 0.00 0.00 60.65 58.44 1xe3 h LYS 135 Cb 0.14 -0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 31.32 1xe3 h LYS 135 CO -0.07 0.96 -0.16 0.87 -2.00 0.00 0.00 179.45 179.06 1xe3 h LYS 136 N 0.82 -0.10 -0.51 0.07 1.57 -1.31 -0.25 116.57 116.86 1xe3 h LYS 136 Ca 0.14 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1xe3 h LYS 136 Cb 0.61 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1xe3 h LYS 136 CO 0.04 -0.07 0.07 0.00 -0.57 0.00 0.00 179.45 178.92 1xe3 h ALA 137 N 1.14 0.68 -0.22 3.86 0.00 -1.03 -1.53 119.26 122.17 1xe3 h ALA 137 Ca 0.17 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xe3 h ALA 137 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xe3 h ALA 137 CO -0.39 0.43 0.09 -0.92 0.00 0.00 0.00 179.25 178.45 1xe3 h TYR 138 N 0.73 0.16 -0.17 0.00 3.20 -0.94 0.34 116.97 120.29 1xe3 h TYR 138 Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1xe3 h TYR 138 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1xe3 h TYR 138 CO 0.03 0.08 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.19 1xe3 h ASP 139 N 0.20 0.30 -0.50 -2.11 3.32 -0.94 -0.58 116.42 116.10 1xe3 h ASP 139 Ca 0.09 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 1xe3 h ASP 139 Cb 0.05 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1xe3 h ASP 139 CO -0.09 0.53 -0.13 0.00 -1.72 0.00 0.00 179.24 177.84 1xe3 h ALA 140 N 0.77 0.78 -0.74 3.45 0.00 -1.27 -1.92 119.26 120.33 1xe3 h ALA 140 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1xe3 h ALA 140 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xe3 h ALA 140 CO 0.01 0.67 0.38 0.78 0.00 0.00 0.00 179.25 181.08 1xe3 h GLY 141 N 0.93 1.13 1.83 0.00 0.00 -0.21 -2.66 103.07 104.10 1xe3 h GLY 141 Ca 0.13 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 1xe3 h GLY 141 CO 0.05 0.52 -0.66 0.00 0.00 0.00 0.00 176.54 176.45 1xe3 h THR 142 N 1.03 1.42 0.00 4.70 1.03 -0.97 -2.51 112.91 117.62 1xe3 h THR 142 Ca 0.26 -2.14 -0.06 0.00 -0.01 0.00 0.00 66.41 64.46 1xe3 h THR 142 Cb 0.08 2.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.28 1xe3 h THR 142 CO -0.04 0.62 -0.28 -0.33 -0.01 0.00 0.00 175.52 175.49 1xe3 h GLU 143 N 0.12 0.00 -0.17 0.00 4.39 -1.23 -2.48 114.58 115.21 1xe3 h GLU 143 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1xe3 h GLU 143 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1xe3 h GLU 143 CO 0.10 0.28 0.00 1.63 -1.16 0.00 0.00 179.01 179.85 1xe3 n LYS 144 N -3.85 1.57 -1.59 2.33 4.76 -1.01 -4.93 118.16 115.43 1xe3 n LYS 144 Ca -0.02 -0.86 -0.12 0.00 -2.87 0.00 0.00 58.31 54.44 1xe3 n LYS 144 Cb 0.36 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1xe3 n LYS 144 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xe3 n GLY 145 N 1.01 0.95 3.81 0.72 0.00 -0.94 -5.00 105.19 105.74 1xe3 n GLY 145 Ca 0.13 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1xe3 n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xe3 s LEU 146 N -3.03 3.88 -1.30 0.99 1.43 -0.96 -4.93 118.68 114.76 1xe3 s LEU 146 Ca 0.00 1.80 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 1xe3 s LEU 146 Cb 0.00 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1xe3 s LEU 146 CO 0.00 -0.58 1.79 1.41 0.23 0.00 0.00 176.35 179.20 1xe3 n HIS 147 N -0.85 4.02 -2.91 0.29 8.25 -1.26 -4.62 115.22 118.13 1xe3 n HIS 147 Ca 0.08 -3.01 -0.40 0.00 -0.26 0.00 0.00 57.72 54.14 1xe3 n HIS 147 Cb 0.53 -2.29 -0.06 0.00 1.12 0.00 0.00 29.99 29.30 1xe3 n HIS 147 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xe3 s VAL 148 N 2.10 4.38 -0.01 1.59 1.01 -1.26 -0.59 120.40 127.63 1xe3 s VAL 148 Ca 0.45 1.80 0.01 0.00 0.00 0.00 0.00 61.98 64.24 1xe3 s VAL 148 Cb 0.06 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1xe3 s VAL 148 CO 0.00 0.47 -0.02 -0.13 0.00 0.00 0.00 175.10 175.43 1xe3 s ARG 149 N -0.86 0.19 -0.23 2.72 0.52 0.25 -4.91 118.95 116.62 1xe3 s ARG 149 Ca 0.38 -0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.51 1xe3 s ARG 149 Cb -0.23 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.04 1xe3 s ARG 149 CO 0.27 0.02 -0.05 0.08 0.02 0.00 0.00 175.30 175.64 1xe3 s VAL 150 N 0.09 3.14 0.00 3.52 1.01 -1.26 -1.01 120.40 125.89 1xe3 s VAL 150 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xe3 s VAL 150 Cb -0.03 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1xe3 s VAL 150 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1xe3 n GLY 151 N 4.74 1.89 3.95 4.51 0.00 -0.95 -4.93 105.19 114.41 1xe3 n GLY 151 Ca -0.17 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1xe3 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe3 s ASN 152 N 2.00 6.31 0.32 1.61 6.03 -1.26 0.05 114.94 130.00 1xe3 s ASN 152 Ca 0.00 0.13 0.03 0.00 -1.03 0.00 0.00 52.86 52.00 1xe3 s ASN 152 Cb 0.00 -1.88 -0.06 0.00 -3.03 0.00 0.00 41.25 36.28 1xe3 s ASN 152 CO 0.00 0.02 0.07 0.68 -2.03 0.00 0.00 177.10 175.83 1xe3 s VAL 153 N -1.81 1.06 -0.21 3.54 -7.23 -1.13 -1.85 120.40 112.75 1xe3 s VAL 153 Ca 0.34 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1xe3 s VAL 153 Cb -0.10 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1xe3 s VAL 153 CO 0.29 0.00 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.84 1xe3 s LEU 154 N -3.47 3.07 -0.39 1.32 0.20 -0.41 0.49 118.68 119.49 1xe3 s LEU 154 Ca 0.36 -0.31 -0.20 0.00 0.69 0.00 0.00 54.13 54.67 1xe3 s LEU 154 Cb 0.08 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1xe3 s LEU 154 CO 0.15 0.01 0.60 -0.89 -0.29 0.00 0.00 176.35 175.93 1xe3 s THR 155 N 1.30 4.90 -0.05 3.68 2.01 0.11 -0.84 115.64 126.76 1xe3 s THR 155 Ca 0.04 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1xe3 s THR 155 Cb -0.14 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1xe3 s THR 155 CO -0.00 -0.41 0.02 0.00 -0.69 0.00 0.00 174.62 173.54 1xe3 s ALA 156 N 2.65 3.36 -0.42 7.40 0.00 0.18 -2.41 121.76 132.52 1xe3 s ALA 156 Ca 0.22 -0.86 0.22 0.00 0.00 0.00 0.00 51.96 51.54 1xe3 s ALA 156 Cb -0.15 -1.47 0.31 0.00 0.00 0.00 0.00 23.12 21.81 1xe3 s ALA 156 CO 0.16 0.63 1.58 -0.44 0.00 0.00 0.00 175.76 177.69 1xe3 h ASP 157 N 4.69 0.00 -3.65 0.00 3.32 -1.89 -3.41 116.42 115.50 1xe3 h ASP 157 Ca -0.50 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.93 1xe3 h ASP 157 Cb 1.19 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.35 1xe3 h ASP 157 CO 0.57 0.03 -0.78 -0.69 -1.72 0.00 0.00 179.24 176.65 1xe3 s VAL 158 N -3.20 1.65 0.14 -1.35 1.01 -1.26 -4.96 120.40 112.43 1xe3 s VAL 158 Ca 0.07 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.52 1xe3 s VAL 158 Cb 0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1xe3 s VAL 158 CO 0.68 -0.17 1.54 0.15 0.00 0.00 0.00 175.10 177.29 1xe3 h PHE 159 N 7.90 0.99 -3.29 5.22 3.57 -1.99 -3.38 116.94 125.96 1xe3 h PHE 159 Ca -0.16 -0.23 -0.73 0.00 3.53 0.00 0.00 57.97 60.38 1xe3 h PHE 159 Cb 1.06 -0.24 -0.27 0.00 2.79 0.00 0.00 35.95 39.29 1xe3 h PHE 159 CO 0.51 0.99 -0.37 0.71 -2.23 0.00 0.00 178.31 177.92 1xe3 s TYR 160 N -4.73 3.35 -0.11 0.41 1.51 -1.26 -5.07 117.35 111.44 1xe3 s TYR 160 Ca -0.12 -1.56 -0.03 0.00 -1.01 0.00 0.00 57.07 54.35 1xe3 s TYR 160 Cb 0.11 -3.39 -0.03 0.00 -0.11 0.00 0.00 41.96 38.54 1xe3 s TYR 160 CO 0.84 -0.94 -0.01 0.50 -1.11 0.00 0.00 175.55 174.83 1xe3 s ARG 161 N 1.46 3.24 0.05 -0.62 3.52 -1.26 -5.04 118.95 120.30 1xe3 s ARG 161 Ca 0.04 -0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 54.95 1xe3 s ARG 161 Cb -0.26 -2.84 -0.12 0.00 -1.56 0.00 0.00 34.95 30.17 1xe3 s ARG 161 CO 0.02 0.53 1.37 0.93 -0.81 0.00 0.00 175.30 177.34 1xe3 h GLU 162 N 5.74 -0.71 -5.32 5.12 4.39 -1.97 -3.43 114.58 118.40 1xe3 h GLU 162 Ca -0.44 0.05 -0.63 0.00 0.34 0.00 0.00 59.36 58.68 1xe3 h GLU 162 Cb 1.19 0.16 -0.19 0.00 -0.10 0.00 0.00 28.75 29.80 1xe3 h GLU 162 CO 0.58 -0.47 -0.63 0.45 -1.16 0.00 0.00 179.01 177.78 1xe3 s SER 163 N -3.55 5.10 0.00 1.42 0.15 -1.26 -4.99 113.70 110.56 1xe3 s SER 163 Ca -0.12 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 56.70 1xe3 s SER 163 Cb 0.02 -1.83 0.53 0.00 -1.71 0.00 0.00 66.02 63.03 1xe3 s SER 163 CO 0.40 0.18 1.45 0.23 1.20 0.00 0.00 173.24 176.69 1xe3 n MET 164 N 3.46 2.27 -0.22 5.44 2.81 -1.26 -4.62 117.12 125.01 1xe3 n MET 164 Ca -0.17 -1.93 -0.01 0.00 -1.81 0.00 0.00 57.70 53.79 1xe3 n MET 164 Cb 0.52 -1.47 0.11 0.00 -0.71 0.00 0.00 33.22 31.67 1xe3 n MET 164 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1xe3 h ASP 165 N 3.63 0.39 0.59 7.83 5.19 -1.99 0.47 116.42 132.53 1xe3 h ASP 165 Ca 0.00 0.05 -0.28 0.00 -0.62 0.00 0.00 57.03 56.18 1xe3 h ASP 165 Cb 0.81 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1xe3 h ASP 165 CO 0.00 0.24 -1.30 -0.03 -3.12 0.00 0.00 179.24 175.03 1xe3 h MET 166 N 0.54 0.27 -0.01 3.56 4.05 -1.99 -2.04 114.93 119.32 1xe3 h MET 166 Ca 0.31 -0.46 -0.13 0.00 -0.28 0.00 0.00 59.70 59.14 1xe3 h MET 166 Cb 0.30 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1xe3 h MET 166 CO -0.24 1.20 -0.61 -0.39 0.23 0.00 0.00 176.91 177.10 1xe3 h VAL 167 N 0.07 1.43 -0.20 -5.77 -1.51 -1.78 -0.33 116.25 108.16 1xe3 h VAL 167 Ca -0.16 -2.08 -0.01 0.00 -1.23 0.00 0.00 66.70 63.23 1xe3 h VAL 167 Cb 1.98 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 33.25 1xe3 h VAL 167 CO 0.20 0.60 0.10 0.50 -1.23 0.00 0.00 177.57 177.74 1xe3 h LYS 168 N 0.01 0.29 -0.50 5.19 3.64 -0.90 -2.27 116.57 122.05 1xe3 h LYS 168 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1xe3 h LYS 168 Cb 1.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1xe3 h LYS 168 CO 0.08 0.30 0.28 -0.22 -2.27 0.00 0.00 179.45 177.62 1xe3 h LYS 169 N 0.21 0.67 -0.75 1.90 3.64 -1.05 -1.93 116.57 119.26 1xe3 h LYS 169 Ca 0.07 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1xe3 h LYS 169 Cb 0.10 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xe3 h LYS 169 CO -0.01 0.49 0.23 -0.07 -2.27 0.00 0.00 179.45 177.82 1xe3 h LEU 170 N 0.68 1.09 -0.81 5.20 3.38 -0.98 -2.41 115.31 121.46 1xe3 h LEU 170 Ca 0.18 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1xe3 h LEU 170 Cb 0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1xe3 h LEU 170 CO -0.03 1.01 0.50 1.23 0.09 0.00 0.00 178.44 181.24 1xe3 h GLY 171 N 1.12 1.20 2.00 0.83 0.00 -0.77 -1.05 103.07 106.40 1xe3 h GLY 171 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1xe3 h GLY 171 CO -0.01 0.28 -0.04 -0.55 0.00 0.00 0.00 176.54 176.22 1xe3 h ASP 172 N 0.95 0.00 -0.55 0.19 3.32 -1.13 -0.87 116.42 118.33 1xe3 h ASP 172 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1xe3 h ASP 172 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xe3 h ASP 172 CO -0.15 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.19 1xe3 n TYR 173 N -3.29 1.99 -0.61 4.55 4.02 -0.85 -4.95 117.16 118.02 1xe3 n TYR 173 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.19 1xe3 n TYR 173 Cb 0.19 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 1xe3 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xe3 n GLY 174 N 0.59 0.76 3.71 2.72 0.00 -0.33 -5.04 105.19 107.61 1xe3 n GLY 174 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1xe3 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe3 s VAL 175 N -2.71 3.24 -0.09 1.61 1.01 -0.46 -4.67 120.40 118.33 1xe3 s VAL 175 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 1xe3 s VAL 175 Cb 0.00 -3.56 -0.28 0.00 0.00 0.00 0.00 36.38 32.54 1xe3 s VAL 175 CO 0.00 0.06 0.48 -0.07 0.00 0.00 0.00 175.10 175.57 1xe3 h LEU 176 N 6.90 0.49 -7.69 3.92 3.38 -1.69 -3.35 115.31 117.27 1xe3 h LEU 176 Ca -0.42 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 56.68 1xe3 h LEU 176 Cb 1.21 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1xe3 h LEU 176 CO 0.87 1.83 0.28 0.00 0.09 0.00 0.00 178.44 181.50 1xe3 s ALA 177 N -2.57 -1.40 -0.08 1.53 0.00 -1.26 -1.37 121.76 116.62 1xe3 s ALA 177 Ca -0.20 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1xe3 s ALA 177 Cb 0.06 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1xe3 s ALA 177 CO 0.80 -0.97 -0.24 0.54 0.00 0.00 0.00 175.76 175.90 1xe3 s VAL 178 N -3.75 2.12 0.00 0.00 0.11 0.17 -1.29 120.40 117.76 1xe3 s VAL 178 Ca 0.09 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1xe3 s VAL 178 Cb -0.04 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1xe3 s VAL 178 CO 0.01 0.56 0.00 -1.84 -3.33 0.00 0.00 175.10 170.51 1xe3 n GLU 179 N 3.19 0.00 -0.13 1.54 -0.00 -0.02 -1.22 120.64 123.99 1xe3 n GLU 179 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.99 1xe3 n GLU 179 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.98 1xe3 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1xe3 n MET 180 N 0.00 0.61 0.00 3.44 2.81 -1.26 -0.65 117.12 122.07 1xe3 n MET 180 Ca 0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 1xe3 n MET 180 Cb 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1xe3 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1xe3 n GLU 181 N -0.21 0.87 0.19 0.03 4.71 -1.26 -2.29 120.64 122.68 1xe3 n GLU 181 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.19 1xe3 n GLU 181 Cb 0.52 -0.63 0.37 0.00 -1.01 0.00 0.00 31.44 30.69 1xe3 n GLU 181 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1xe3 h THR 182 N 0.00 1.22 -0.99 2.62 1.35 -1.95 -1.47 112.91 113.69 1xe3 h THR 182 Ca 0.00 -1.29 0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1xe3 h THR 182 Cb 0.27 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 68.34 1xe3 h THR 182 CO 0.00 0.36 0.64 0.00 -0.25 0.00 0.00 175.52 176.28 1xe3 h THR 183 N 0.00 1.26 0.02 6.82 1.03 -1.91 0.12 112.91 120.26 1xe3 h THR 183 Ca -0.00 -0.48 -0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1xe3 h THR 183 Cb 0.67 -0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 1xe3 h THR 183 CO 0.05 0.25 -0.01 0.00 -0.01 0.00 0.00 175.52 175.80 1xe3 h ALA 184 N 1.37 -0.03 0.07 0.00 0.00 -1.64 -0.73 119.26 118.29 1xe3 h ALA 184 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1xe3 h ALA 184 Cb -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xe3 h ALA 184 CO -0.08 -0.49 -0.15 1.25 0.00 0.00 0.00 179.25 179.78 1xe3 h LEU 185 N -0.09 -0.43 -0.46 0.00 5.85 -1.08 -0.72 115.31 118.38 1xe3 h LEU 185 Ca -0.00 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1xe3 h LEU 185 Cb 0.09 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xe3 h LEU 185 CO 0.01 -0.22 -0.16 1.88 -0.34 0.00 0.00 178.44 179.60 1xe3 h TYR 186 N -0.29 1.05 -0.24 1.25 -1.99 -0.80 -1.96 116.97 113.98 1xe3 h TYR 186 Ca 0.03 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.51 1xe3 h TYR 186 Cb 0.32 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1xe3 h TYR 186 CO -0.17 1.03 0.14 1.15 -0.00 0.00 0.00 178.16 180.30 1xe3 h THR 187 N 0.76 1.11 -0.11 -2.88 2.02 -1.03 -2.21 112.91 110.58 1xe3 h THR 187 Ca 0.11 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 1xe3 h THR 187 Cb 0.73 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1xe3 h THR 187 CO 0.06 0.11 -0.55 -0.07 0.37 0.00 0.00 175.52 175.44 1xe3 h LEU 188 N 0.28 0.34 -0.25 2.58 3.38 -1.09 -1.65 115.31 118.91 1xe3 h LEU 188 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xe3 h LEU 188 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xe3 h LEU 188 CO -0.01 0.82 0.03 0.00 0.09 0.00 0.00 178.44 179.36 1xe3 h ALA 189 N 1.19 0.33 -0.11 1.53 0.00 -1.32 -2.37 119.26 118.51 1xe3 h ALA 189 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xe3 h ALA 189 Cb 1.04 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1xe3 h ALA 189 CO 0.09 0.03 -0.26 0.00 0.00 0.00 0.00 179.25 179.11 1xe3 h ALA 190 N 0.84 -0.27 -0.92 0.00 0.00 -1.34 0.16 119.26 117.72 1xe3 h ALA 190 Ca 0.07 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.22 1xe3 h ALA 190 Cb 0.36 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 1xe3 h ALA 190 CO 0.01 -0.73 0.47 -0.22 0.00 0.00 0.00 179.25 178.78 1xe3 h LYS 191 N -0.34 0.51 -0.30 0.00 3.64 -1.15 -2.27 116.57 116.66 1xe3 h LYS 191 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xe3 h LYS 191 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xe3 h LYS 191 CO -0.30 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 1xe3 n TYR 192 N -4.94 0.37 -2.28 1.91 4.01 -0.91 -4.97 117.16 110.35 1xe3 n TYR 192 Ca 0.22 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.69 1xe3 n TYR 192 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1xe3 n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xe3 n GLY 193 N 1.46 0.09 3.05 2.72 0.00 -0.15 -5.03 105.19 107.32 1xe3 n GLY 193 Ca 0.18 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1xe3 n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xe3 n VAL 194 N -3.92 0.00 -4.61 1.61 0.24 -0.14 -5.02 118.33 106.49 1xe3 n VAL 194 Ca -0.08 -1.98 -0.33 0.00 -2.04 0.00 0.00 64.34 59.91 1xe3 n VAL 194 Cb 0.57 0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 33.13 1xe3 n VAL 194 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xe3 s ASN 195 N -3.38 4.06 0.03 -1.34 0.02 0.06 -4.28 114.94 110.10 1xe3 s ASN 195 Ca 0.03 -0.34 -0.01 0.00 -1.02 0.00 0.00 52.86 51.53 1xe3 s ASN 195 Cb -0.00 -1.63 -0.02 0.00 0.02 0.00 0.00 41.25 39.61 1xe3 s ASN 195 CO 0.02 0.13 -0.01 0.00 0.02 0.00 0.00 177.10 177.26 1xe3 s ALA 196 N 0.54 0.17 -0.09 0.60 0.00 -1.26 -0.88 121.76 120.84 1xe3 s ALA 196 Ca -0.08 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 1xe3 s ALA 196 Cb -0.15 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1xe3 s ALA 196 CO 0.04 -0.22 0.48 -1.17 0.00 0.00 0.00 175.76 174.89 1xe3 s LEU 197 N -1.81 0.16 -0.08 0.00 2.96 -0.74 -1.42 118.68 117.75 1xe3 s LEU 197 Ca -0.10 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1xe3 s LEU 197 Cb -0.05 1.78 -0.01 0.00 0.50 0.00 0.00 46.19 48.40 1xe3 s LEU 197 CO -0.03 -0.38 -0.18 -0.44 -1.32 0.00 0.00 176.35 173.99 1xe3 s SER 198 N -0.67 3.62 -0.08 3.68 0.01 -1.26 -0.69 113.70 118.31 1xe3 s SER 198 Ca -0.08 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 1xe3 s SER 198 Cb -0.03 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.08 1xe3 s SER 198 CO 0.04 0.24 -0.03 -0.69 0.41 0.00 0.00 173.24 173.21 1xe3 s VAL 199 N -0.09 0.58 -0.03 3.43 1.01 -0.30 -2.15 120.40 122.84 1xe3 s VAL 199 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1xe3 s VAL 199 Cb -0.14 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1xe3 s VAL 199 CO 0.04 0.29 0.03 -0.76 0.00 0.00 0.00 175.10 174.69 1xe3 s LEU 200 N 1.79 0.89 0.09 3.92 1.43 0.02 -1.82 118.68 124.99 1xe3 s LEU 200 Ca 0.03 0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 1xe3 s LEU 200 Cb -0.13 -0.15 -0.07 0.00 0.03 0.00 0.00 46.19 45.88 1xe3 s LEU 200 CO -0.05 -0.15 0.71 -0.89 0.23 0.00 0.00 176.35 176.19 1xe3 s THR 201 N 1.33 4.63 -0.30 5.49 2.01 -0.71 0.07 115.64 128.16 1xe3 s THR 201 Ca -0.06 1.52 -0.29 0.00 0.31 0.00 0.00 61.69 63.18 1xe3 s THR 201 Cb -0.13 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1xe3 s THR 201 CO -0.03 0.46 1.54 -0.69 -0.69 0.00 0.00 174.62 175.22 1xe3 s VAL 202 N -0.65 3.79 -0.11 3.82 1.01 -0.09 -0.56 120.40 127.60 1xe3 s VAL 202 Ca 0.35 0.85 0.16 0.00 0.00 0.00 0.00 61.98 63.34 1xe3 s VAL 202 Cb -0.21 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 1xe3 s VAL 202 CO 0.23 -0.47 0.87 0.77 0.00 0.00 0.00 175.10 176.50 1xe3 h SER 203 N 10.86 0.00 -5.09 3.32 4.64 -1.63 0.81 113.55 126.46 1xe3 h SER 203 Ca -0.31 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1xe3 h SER 203 Cb 1.13 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.06 1xe3 h SER 203 CO 1.03 0.62 -0.36 -1.81 -0.87 0.00 0.00 176.83 175.44 1xe3 s ASP 204 N -5.89 0.03 -0.29 4.97 1.01 -1.23 -0.99 116.67 114.29 1xe3 s ASP 204 Ca -0.02 -0.42 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 1xe3 s ASP 204 Cb 0.09 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.33 1xe3 s ASP 204 CO 0.81 -0.61 0.08 -2.28 0.21 0.00 0.00 175.17 173.37 1xe3 s HIS 205 N -2.92 3.13 0.44 4.23 2.46 0.24 -0.34 115.29 122.52 1xe3 s HIS 205 Ca -0.02 -0.85 0.14 0.00 0.47 0.00 0.00 55.06 54.80 1xe3 s HIS 205 Cb 0.01 -2.25 1.04 0.00 -0.13 0.00 0.00 32.58 31.24 1xe3 s HIS 205 CO -0.06 -0.53 1.97 0.82 -2.47 0.00 0.00 174.74 174.47 1xe3 h ILE 206 N 5.79 0.88 0.00 0.89 1.08 -1.39 -1.23 117.51 123.52 1xe3 h ILE 206 Ca -0.33 -0.14 -0.34 0.00 -0.39 0.00 0.00 64.86 63.66 1xe3 h ILE 206 Cb 1.14 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 1xe3 h ILE 206 CO 0.60 0.07 -2.23 0.49 -0.69 0.00 0.00 178.15 176.39 1xe3 n PHE 207 N -4.47 0.00 0.42 1.37 3.72 -1.26 -4.51 117.46 112.74 1xe3 n PHE 207 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 1xe3 n PHE 207 Cb 0.40 -0.82 0.35 0.00 -0.94 0.00 0.00 39.48 38.47 1xe3 n PHE 207 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1xe3 h THR 208 N -0.29 0.00 0.00 4.37 1.35 -1.93 -3.47 112.91 112.94 1xe3 h THR 208 Ca -0.51 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1xe3 h THR 208 Cb 1.65 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1xe3 h THR 208 CO -0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 1xe3 n GLY 209 N 1.01 0.85 3.77 5.82 0.00 -0.47 -5.02 105.19 111.15 1xe3 n GLY 209 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1xe3 n GLY 209 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xe3 s GLU 210 N -0.18 3.87 0.19 1.61 0.41 -1.25 -4.78 118.70 118.58 1xe3 s GLU 210 Ca 0.00 2.15 -0.00 0.00 -0.41 0.00 0.00 54.97 56.71 1xe3 s GLU 210 Cb 0.00 -2.69 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1xe3 s GLU 210 CO 0.00 -0.57 0.08 -1.83 -0.49 0.00 0.00 175.26 172.45 1xe3 s GLU 211 N -2.34 1.17 0.15 1.61 -1.05 -1.26 -0.59 118.70 116.38 1xe3 s GLU 211 Ca 0.59 -1.60 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 1xe3 s GLU 211 Cb -0.38 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.32 1xe3 s GLU 211 CO 0.48 -0.29 -0.05 0.95 0.95 0.00 0.00 175.26 177.29 1xe3 s THR 212 N -3.96 0.92 0.05 1.83 -4.23 -0.16 -4.94 115.64 105.15 1xe3 s THR 212 Ca 0.33 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1xe3 s THR 212 Cb 0.07 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1xe3 s THR 212 CO 0.09 -0.66 0.20 -0.89 -0.54 0.00 0.00 174.62 172.82 1xe3 s THR 213 N -3.49 5.38 0.29 3.99 2.01 -1.26 -4.97 115.64 117.59 1xe3 s THR 213 Ca 0.19 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1xe3 s THR 213 Cb 0.04 -3.61 0.29 0.00 0.01 0.00 0.00 72.50 69.23 1xe3 s THR 213 CO 0.01 0.16 1.77 -1.28 -0.69 0.00 0.00 174.62 174.59 1xe3 h SER 214 N 3.16 0.71 -0.44 3.53 0.87 -1.99 -1.85 113.55 117.54 1xe3 h SER 214 Ca -0.45 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1xe3 h SER 214 Cb 1.16 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1xe3 h SER 214 CO 0.75 0.26 0.13 -0.08 -0.53 0.00 0.00 176.83 177.36 1xe3 h GLU 215 N 0.72 0.69 -0.47 2.24 4.81 -2.00 -2.78 114.58 117.79 1xe3 h GLU 215 Ca 0.55 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 59.72 1xe3 h GLU 215 Cb 0.85 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1xe3 h GLU 215 CO -0.38 0.68 0.32 0.93 -0.73 0.00 0.00 179.01 179.82 1xe3 h GLU 216 N 0.58 0.25 -0.00 1.92 5.08 -1.75 -2.42 114.58 118.23 1xe3 h GLU 216 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xe3 h GLU 216 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xe3 h GLU 216 CO -0.00 0.17 -0.31 0.54 -1.00 0.00 0.00 179.01 178.40 1xe3 n ARG 217 N -4.46 0.39 0.09 2.33 1.74 -0.91 -4.61 116.66 111.22 1xe3 n ARG 217 Ca 0.07 -0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 56.82 1xe3 n ARG 217 Cb 0.35 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 1xe3 n ARG 217 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1xe3 h GLN 218 N 0.49 -0.17 -0.69 5.56 5.75 -1.16 0.41 115.11 125.30 1xe3 h GLN 218 Ca 0.00 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1xe3 h GLN 218 Cb 0.48 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 1xe3 h GLN 218 CO 0.00 -0.00 0.46 1.79 -2.65 0.00 0.00 178.83 178.42 1xe3 h THR 219 N -0.30 1.10 -0.04 2.39 1.35 -1.82 0.10 112.91 115.70 1xe3 h THR 219 Ca -0.02 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1xe3 h THR 219 Cb 0.24 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1xe3 h THR 219 CO 0.03 0.15 -0.01 0.74 -0.25 0.00 0.00 175.52 176.18 1xe3 h THR 220 N 0.83 1.31 -0.60 6.82 2.02 -1.81 -2.64 112.91 118.84 1xe3 h THR 220 Ca 0.27 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.59 1xe3 h THR 220 Cb 0.06 1.86 -0.07 0.00 -1.74 0.00 0.00 68.15 68.27 1xe3 h THR 220 CO -0.08 0.26 0.25 0.15 0.37 0.00 0.00 175.52 176.47 1xe3 h PHE 221 N -0.28 0.44 -0.28 3.16 3.57 -0.31 -1.22 116.94 122.01 1xe3 h PHE 221 Ca 0.01 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1xe3 h PHE 221 Cb 0.42 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1xe3 h PHE 221 CO 0.06 0.14 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.22 1xe3 h ASN 222 N 0.45 0.47 -0.45 0.41 2.35 -0.85 -0.11 115.58 117.86 1xe3 h ASN 222 Ca 0.29 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1xe3 h ASN 222 Cb 0.33 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1xe3 h ASN 222 CO -0.27 0.66 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.67 1xe3 h GLU 223 N 0.45 0.90 -0.73 0.81 4.39 -1.03 -2.76 114.58 116.61 1xe3 h GLU 223 Ca 0.08 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 1xe3 h GLU 223 Cb 0.53 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1xe3 h GLU 223 CO 0.03 1.02 0.24 0.52 -1.16 0.00 0.00 179.01 179.67 1xe3 h MET 224 N 0.74 1.11 -0.35 2.33 2.86 -0.60 -1.22 114.93 119.79 1xe3 h MET 224 Ca 0.11 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1xe3 h MET 224 Cb 0.72 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1xe3 h MET 224 CO 0.06 0.93 0.18 0.82 1.06 0.00 0.00 176.91 179.96 1xe3 h ILE 225 N 1.07 1.15 -0.55 -1.22 2.04 -1.05 0.26 117.51 119.22 1xe3 h ILE 225 Ca 0.24 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xe3 h ILE 225 Cb 0.27 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1xe3 h ILE 225 CO -0.01 0.16 0.32 -0.08 0.00 0.00 0.00 178.15 178.53 1xe3 h GLU 226 N 0.44 0.75 -0.73 2.37 4.81 -1.35 -0.08 114.58 120.79 1xe3 h GLU 226 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xe3 h GLU 226 Cb 0.09 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1xe3 h GLU 226 CO -0.02 0.56 0.47 0.82 -0.73 0.00 0.00 179.01 180.11 1xe3 h ILE 227 N 0.73 1.19 -0.27 2.32 2.04 -0.94 -1.32 117.51 121.26 1xe3 h ILE 227 Ca 0.19 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 1xe3 h ILE 227 Cb 0.01 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1xe3 h ILE 227 CO -0.03 0.19 -0.42 0.00 0.00 0.00 0.00 178.15 177.88 1xe3 h ALA 228 N 1.26 0.75 -0.24 1.87 0.00 -0.82 -2.25 119.26 119.81 1xe3 h ALA 228 Ca 0.26 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1xe3 h ALA 228 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xe3 h ALA 228 CO -0.06 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.76 1xe3 h LEU 229 N 0.55 0.44 -0.15 0.00 4.07 -0.76 -0.29 115.31 119.17 1xe3 h LEU 229 Ca 0.04 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1xe3 h LEU 229 Cb 0.96 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1xe3 h LEU 229 CO 0.09 0.67 0.10 0.44 -1.08 0.00 0.00 178.44 178.66 1xe3 h ASP 230 N 0.21 0.17 -0.71 -0.43 3.32 -1.24 -1.10 116.42 116.64 1xe3 h ASP 230 Ca 0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1xe3 h ASP 230 Cb 0.46 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1xe3 h ASP 230 CO 0.02 0.14 0.35 0.00 -1.72 0.00 0.00 179.24 178.03 1xe3 h ALA 231 N 1.04 0.91 -0.19 3.45 0.00 -1.38 -2.12 119.26 120.97 1xe3 h ALA 231 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1xe3 h ALA 231 Cb -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1xe3 h ALA 231 CO -0.01 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 1xe3 h ALA 232 N 1.17 -0.08 -0.00 0.00 0.00 -0.79 -2.99 119.26 116.57 1xe3 h ALA 232 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xe3 h ALA 232 Cb 0.10 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xe3 h ALA 232 CO -0.03 -0.62 -0.00 0.44 0.00 0.00 0.00 179.25 179.03 1xe3 n ILE 233 N -5.34 0.00 0.69 0.00 -5.35 -0.44 -4.83 119.36 104.09 1xe3 n ILE 233 Ca -0.02 -0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 1xe3 n ILE 233 Cb 0.25 -0.49 0.07 0.00 -1.74 0.00 0.00 39.64 37.73 1xe3 n ILE 233 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79