#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe3 s MET 1 N 0.00 1.61 0.90 1.57 1.00 -1.26 -4.22 119.30 118.91 1xe3 s MET 1 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 55.69 54.06 1xe3 s MET 1 Cb 0.00 -1.90 0.15 0.00 0.00 0.00 0.00 34.83 33.08 1xe3 s MET 1 CO 0.00 0.40 1.23 -1.54 0.00 0.00 0.00 175.02 175.12 1xe3 s SER 2 N -2.71 3.63 0.43 3.03 1.04 -1.17 -4.98 113.70 112.97 1xe3 s SER 2 Ca 0.22 0.57 0.24 0.00 0.48 0.00 0.00 55.95 57.45 1xe3 s SER 2 Cb -0.08 -0.87 0.86 0.00 0.10 0.00 0.00 66.02 66.03 1xe3 s SER 2 CO 0.11 -2.44 1.80 1.62 0.98 0.00 0.00 173.24 175.31 1xe3 h VAL 3 N -1.43 0.54 -0.01 5.02 3.04 -1.99 -3.28 116.25 118.14 1xe3 h VAL 3 Ca -0.46 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 1xe3 h VAL 3 Cb 1.29 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1xe3 h VAL 3 CO 0.52 0.23 -0.00 1.41 -1.01 0.00 0.00 177.57 178.71 1xe3 n HIS 4 N -3.36 0.00 -4.44 3.17 -0.00 -1.26 -4.97 115.22 104.36 1xe3 n HIS 4 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.49 1xe3 n HIS 4 Cb 0.45 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.27 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 -0.47 0.98 -0.38 1.59 1.01 -1.24 -4.66 121.20 118.03 1xe3 s ILE 5 Ca 0.06 -0.38 0.14 0.00 0.00 0.00 0.00 60.65 60.47 1xe3 s ILE 5 Cb 0.05 -0.92 0.77 0.00 0.01 0.00 0.00 42.46 42.37 1xe3 s ILE 5 CO 0.07 0.32 1.67 -1.84 0.00 0.00 0.00 174.94 175.17 1xe3 n GLU 6 N 3.95 4.59 -2.55 2.79 0.28 -1.26 -3.04 120.64 125.40 1xe3 n GLU 6 Ca -0.23 -2.95 -0.34 0.00 -0.16 0.00 0.00 57.16 53.48 1xe3 n GLU 6 Cb 0.51 -2.19 -0.04 0.00 1.43 0.00 0.00 31.44 31.15 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 -2.58 2.89 0.56 -1.84 0.00 -1.23 -4.92 121.76 114.63 1xe3 s ALA 7 Ca 0.51 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1xe3 s ALA 7 Cb 0.39 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1xe3 s ALA 7 CO 0.16 -0.30 1.03 0.15 0.00 0.00 0.00 175.76 176.80 1xe3 s LYS 8 N -3.17 3.55 0.17 0.00 1.02 -1.26 -4.51 119.74 115.55 1xe3 s LYS 8 Ca 0.66 1.12 -0.33 0.00 0.02 0.00 0.00 55.97 57.44 1xe3 s LYS 8 Cb -0.17 -2.07 -0.15 0.00 -0.52 0.00 0.00 37.83 34.92 1xe3 s LYS 8 CO 0.20 -0.61 1.36 1.04 -0.92 0.00 0.00 175.35 176.42 1xe3 n GLN 9 N -1.85 1.61 0.00 1.68 1.13 -1.26 -1.89 117.38 116.80 1xe3 n GLN 9 Ca 0.08 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.72 1xe3 n GLN 9 Cb 0.53 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.67 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 2.47 2.59 0.26 1.08 0.00 -1.26 -4.89 105.19 105.43 1xe3 n GLY 10 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1xe3 n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xe3 h GLU 11 N 2.14 0.00 -5.31 1.61 5.08 -1.77 -3.43 114.58 112.91 1xe3 h GLU 11 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1xe3 h GLU 11 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1xe3 h GLU 11 CO 0.00 0.12 -0.51 0.42 -1.00 0.00 0.00 179.01 178.04 1xe3 s ILE 12 N -4.38 5.23 0.81 3.13 1.01 -1.26 -4.71 121.20 121.03 1xe3 s ILE 12 Ca -0.03 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1xe3 s ILE 12 Cb 0.14 -3.37 0.08 0.00 0.01 0.00 0.00 42.46 39.32 1xe3 s ILE 12 CO 0.61 0.46 1.09 0.00 0.00 0.00 0.00 174.94 177.10 1xe3 s ALA 13 N 0.23 2.06 -0.10 9.38 0.00 -1.26 -4.91 121.76 127.15 1xe3 s ALA 13 Ca 0.07 0.03 0.30 0.00 0.00 0.00 0.00 51.96 52.36 1xe3 s ALA 13 Cb -0.11 -3.20 1.11 0.00 0.00 0.00 0.00 23.12 20.92 1xe3 s ALA 13 CO -0.01 -1.90 1.87 0.93 0.00 0.00 0.00 175.76 176.66 1xe3 h GLU 14 N -1.22 0.00 -5.83 0.00 5.08 -1.87 -3.42 114.58 107.32 1xe3 h GLU 14 Ca -0.46 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.22 1xe3 h GLU 14 Cb 1.25 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.25 1xe3 h GLU 14 CO 0.55 0.00 -0.77 -1.12 -1.00 0.00 0.00 179.01 176.67 1xe3 s SER 15 N -5.57 3.98 -0.10 1.42 0.01 -1.26 -0.16 113.70 112.02 1xe3 s SER 15 Ca 0.03 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 1xe3 s SER 15 Cb 0.08 -1.21 0.03 0.00 0.21 0.00 0.00 66.02 65.13 1xe3 s SER 15 CO 0.55 0.26 0.26 -0.51 0.41 0.00 0.00 173.24 174.21 1xe3 s ILE 16 N -0.19 -0.01 -0.06 1.44 2.07 -0.63 -1.84 121.20 121.98 1xe3 s ILE 16 Ca 0.00 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1xe3 s ILE 16 Cb -0.13 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1xe3 s ILE 16 CO 0.03 0.01 0.15 -0.76 -1.91 0.00 0.00 174.94 172.46 1xe3 s LEU 17 N 0.36 4.31 -0.57 8.50 1.43 -0.36 -1.07 118.68 131.28 1xe3 s LEU 17 Ca -0.02 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1xe3 s LEU 17 Cb -0.03 -2.33 0.19 0.00 0.03 0.00 0.00 46.19 44.05 1xe3 s LEU 17 CO -0.01 0.33 0.50 0.18 0.23 0.00 0.00 176.35 177.58 1xe3 n LEU 18 N 1.44 1.83 -4.80 1.79 4.77 0.77 -0.89 117.00 121.90 1xe3 n LEU 18 Ca -0.15 -4.96 -0.32 0.00 -0.03 0.00 0.00 56.01 50.55 1xe3 n LEU 18 Cb 0.54 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1xe3 n LEU 18 CO 0.37 1.88 0.71 -2.16 -1.33 0.00 0.00 177.39 176.87 1xe3 s PRO 19 N -1.20 2.91 0.15 3.23 0.04 -1.24 -3.24 135.00 135.65 1xe3 s PRO 19 Ca 0.31 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1xe3 s PRO 19 Cb 0.04 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1xe3 s PRO 19 CO -0.14 -1.13 1.41 0.78 0.04 0.00 0.00 177.00 177.95 1xe3 h GLY 20 N -0.32 0.72 -6.42 0.56 0.00 -1.83 -1.74 103.07 94.05 1xe3 h GLY 20 Ca -0.45 -0.93 -0.61 0.00 0.00 0.00 0.00 47.33 45.34 1xe3 h GLY 20 CO 0.56 0.83 0.12 -0.35 0.00 0.00 0.00 176.54 177.70 1xe3 s ASP 21 N -7.00 6.57 0.44 0.19 -1.08 -1.26 -1.07 116.67 113.46 1xe3 s ASP 21 Ca -0.08 0.70 0.10 0.00 -0.52 0.00 0.00 52.55 52.74 1xe3 s ASP 21 Cb 0.10 -2.33 0.98 0.00 -1.46 0.00 0.00 42.92 40.21 1xe3 s ASP 21 CO 0.87 -0.33 2.07 1.55 0.52 0.00 0.00 175.17 179.85 1xe3 h PRO 22 N 7.82 0.40 0.00 4.34 0.13 -1.88 -1.22 132.00 141.59 1xe3 h PRO 22 Ca -0.28 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1xe3 h PRO 22 Cb 1.13 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1xe3 h PRO 22 CO 0.76 0.26 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.39 1xe3 h LEU 23 N 0.41 0.00 -0.28 1.56 3.38 -1.93 -1.74 115.31 116.71 1xe3 h LEU 23 Ca 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1xe3 h LEU 23 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xe3 h LEU 23 CO -0.03 0.33 -0.77 -0.09 0.09 0.00 0.00 178.44 177.97 1xe3 h ARG 24 N 0.00 0.57 -0.50 1.13 2.43 -1.73 -1.98 114.38 114.31 1xe3 h ARG 24 Ca -0.00 -0.48 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1xe3 h ARG 24 Cb 0.94 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1xe3 h ARG 24 CO 0.04 1.10 0.28 0.00 -1.51 0.00 0.00 179.97 179.89 1xe3 h ALA 25 N 0.76 0.64 -0.43 2.80 0.00 -1.08 -1.33 119.26 120.62 1xe3 h ALA 25 Ca -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xe3 h ALA 25 Cb 1.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1xe3 h ALA 25 CO 0.14 -0.03 0.23 -0.22 0.00 0.00 0.00 179.25 179.38 1xe3 h LYS 26 N 0.56 0.46 -0.23 0.00 3.64 -1.31 -0.89 116.57 118.81 1xe3 h LYS 26 Ca 0.20 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1xe3 h LYS 26 Cb 0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1xe3 h LYS 26 CO -0.11 0.30 0.05 -0.92 -2.27 0.00 0.00 179.45 176.51 1xe3 h TYR 27 N 0.47 0.09 0.06 1.91 3.20 -1.14 -0.49 116.97 121.07 1xe3 h TYR 27 Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1xe3 h TYR 27 Cb 0.05 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1xe3 h TYR 27 CO -0.08 0.03 -0.03 0.82 -1.64 0.00 0.00 178.16 177.25 1xe3 h ILE 28 N 0.14 0.94 0.34 1.81 2.04 -0.92 -0.97 117.51 120.89 1xe3 h ILE 28 Ca 0.11 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1xe3 h ILE 28 Cb 0.10 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1xe3 h ILE 28 CO -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 177.66 1xe3 h ALA 29 N 0.85 -0.76 -0.37 1.87 0.00 -1.08 -0.47 119.26 119.30 1xe3 h ALA 29 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xe3 h ALA 29 Cb 0.07 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xe3 h ALA 29 CO 0.01 -0.97 0.26 0.93 0.00 0.00 0.00 179.25 179.48 1xe3 h GLU 30 N -0.73 0.20 0.05 0.00 5.08 -1.02 -2.06 114.58 116.11 1xe3 h GLU 30 Ca -0.02 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 1xe3 h GLU 30 Cb 0.67 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1xe3 h GLU 30 CO -0.07 0.13 -2.21 2.41 -1.00 0.00 0.00 179.01 178.27 1xe3 n THR 31 N -4.47 1.62 0.34 1.13 -1.04 -0.38 -4.59 114.28 106.89 1xe3 n THR 31 Ca 0.05 -0.65 0.06 0.00 -2.04 0.00 0.00 64.05 61.47 1xe3 n THR 31 Cb 0.30 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 1xe3 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xe3 n PHE 32 N -3.30 0.00 -4.31 -1.42 3.72 -0.20 -5.03 117.46 106.91 1xe3 n PHE 32 Ca -0.37 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.73 1xe3 n PHE 32 Cb 1.03 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 39.37 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 -3.02 3.12 0.18 4.37 1.02 -0.77 -4.79 118.68 118.79 1xe3 s LEU 33 Ca 0.01 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 53.93 1xe3 s LEU 33 Cb 0.08 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 1xe3 s LEU 33 CO 0.48 0.21 0.13 -1.61 0.02 0.00 0.00 176.35 175.58 1xe3 s GLU 34 N -1.94 2.85 -1.23 1.70 0.41 -0.56 -4.76 118.70 115.18 1xe3 s GLU 34 Ca 0.20 -0.92 -0.05 0.00 -0.41 0.00 0.00 54.97 53.79 1xe3 s GLU 34 Cb -0.11 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1xe3 s GLU 34 CO 0.12 0.47 0.77 -0.25 -0.49 0.00 0.00 175.26 175.88 1xe3 n ASP 35 N -0.43 -2.93 -4.85 -0.19 8.00 -1.26 -0.01 116.55 114.88 1xe3 n ASP 35 Ca -0.08 -0.84 -0.37 0.00 0.71 0.00 0.00 54.79 54.22 1xe3 n ASP 35 Cb 0.55 -4.15 -0.06 0.00 -0.02 0.00 0.00 41.12 37.45 1xe3 n ASP 35 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xe3 s VAL 36 N -3.57 5.07 -0.05 2.53 0.11 -1.26 -4.50 120.40 118.73 1xe3 s VAL 36 Ca 0.17 0.65 0.04 0.00 -2.93 0.00 0.00 61.98 59.92 1xe3 s VAL 36 Cb -0.05 -3.67 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1xe3 s VAL 36 CO 0.81 0.45 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.96 1xe3 s THR 37 N -1.22 1.49 -0.37 5.04 2.01 0.06 -4.99 115.64 117.66 1xe3 s THR 37 Ca 0.28 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 1xe3 s THR 37 Cb -0.15 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1xe3 s THR 37 CO 0.15 0.43 0.65 0.00 -0.69 0.00 0.00 174.62 175.16 1xe3 n TYR 39 N 6.12 0.00 -3.71 0.00 0.18 0.75 -4.94 117.16 115.57 1xe3 n TYR 39 Ca -0.01 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.66 1xe3 n TYR 39 Cb 0.48 -0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.32 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 -2.90 -0.47 -0.26 9.48 2.47 -1.18 -3.58 114.94 118.50 1xe3 s ASN 40 Ca 0.10 0.84 0.22 0.00 0.42 0.00 0.00 52.86 54.45 1xe3 s ASN 40 Cb 0.17 0.76 0.51 0.00 -1.45 0.00 0.00 41.25 41.23 1xe3 s ASN 40 CO 0.80 -0.18 1.11 -0.46 -3.72 0.00 0.00 177.10 174.66 1xe3 n ASN 41 N 3.90 1.69 -4.76 -4.21 0.23 -1.26 -2.26 115.26 108.58 1xe3 n ASN 41 Ca -0.21 -2.08 -0.41 0.00 -0.53 0.00 0.00 54.58 51.35 1xe3 n ASN 41 Cb 0.56 -0.48 -0.01 0.00 -2.08 0.00 0.00 39.78 37.77 1xe3 n ASN 41 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1xe3 s VAL 42 N -3.84 2.32 -1.51 3.53 -7.23 -1.26 -0.79 120.40 111.63 1xe3 s VAL 42 Ca 0.28 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 1xe3 s VAL 42 Cb 0.32 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1xe3 s VAL 42 CO -0.04 0.06 0.00 0.54 -0.31 0.00 0.00 175.10 175.35 1xe3 n ARG 43 N 1.50 -1.50 -1.70 4.82 1.74 -1.26 -1.36 116.66 118.89 1xe3 n ARG 43 Ca 0.04 0.92 -0.19 0.00 -0.77 0.00 0.00 57.85 57.85 1xe3 n ARG 43 Cb 0.39 -5.21 -0.07 0.00 -1.02 0.00 0.00 32.46 26.55 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 -0.10 1.38 3.29 -0.13 0.00 0.03 -4.91 105.19 104.76 1xe3 n GLY 44 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1xe3 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xe3 n MET 45 N -2.38 3.54 -1.71 1.61 0.00 -0.47 -4.83 117.12 112.89 1xe3 n MET 45 Ca -0.20 -3.97 -0.43 0.00 0.00 0.00 0.00 57.70 53.10 1xe3 n MET 45 Cb 0.63 -2.88 -0.02 0.00 0.00 0.00 0.00 33.22 30.95 1xe3 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1xe3 n LEU 46 N 4.35 3.69 -3.95 -0.89 4.77 -1.25 -4.63 117.00 119.09 1xe3 n LEU 46 Ca 0.34 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 57.31 1xe3 n LEU 46 Cb 0.40 -1.50 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 1xe3 n LEU 46 CO 0.64 -0.23 -0.41 -0.83 -1.33 0.00 0.00 177.39 175.23 1xe3 s GLY 47 N 0.26 0.32 0.09 -0.72 0.00 -0.96 -2.18 107.32 104.14 1xe3 s GLY 47 Ca 0.64 -0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.21 1xe3 s GLY 47 CO 0.52 -0.07 -0.14 -1.36 0.00 0.00 0.00 173.10 172.05 1xe3 s PHE 48 N 0.09 1.30 -0.03 1.90 0.40 -0.25 -0.18 117.98 121.20 1xe3 s PHE 48 Ca -0.01 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1xe3 s PHE 48 Cb -0.05 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 1xe3 s PHE 48 CO -0.00 0.09 -0.17 0.99 0.70 0.00 0.00 175.22 176.83 1xe3 s THR 49 N -1.73 1.37 0.01 0.64 2.01 -0.04 -0.64 115.64 117.26 1xe3 s THR 49 Ca 0.03 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.33 1xe3 s THR 49 Cb -0.07 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1xe3 s THR 49 CO 0.02 0.39 0.02 0.61 -0.69 0.00 0.00 174.62 174.98 1xe3 n GLY 50 N 2.97 2.74 3.20 4.40 0.00 -0.01 -0.76 105.19 117.72 1xe3 n GLY 50 Ca -0.17 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1xe3 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xe3 s THR 51 N -2.61 1.54 -0.13 2.61 -1.32 0.99 -1.58 115.64 115.14 1xe3 s THR 51 Ca 0.01 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.60 1xe3 s THR 51 Cb -0.00 -1.28 0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1xe3 s THR 51 CO 0.01 0.41 0.05 -0.47 -2.21 0.00 0.00 174.62 172.41 1xe3 s TYR 52 N -0.49 0.50 -1.43 9.09 5.04 0.52 -1.50 117.35 129.09 1xe3 s TYR 52 Ca 0.07 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.29 1xe3 s TYR 52 Cb -0.08 -0.77 0.05 0.00 0.35 0.00 0.00 41.96 41.51 1xe3 s TYR 52 CO -0.01 -0.43 1.01 1.63 -1.34 0.00 0.00 175.55 176.41 1xe3 n LYS 53 N 5.19 -6.22 -1.02 4.97 5.02 -1.26 -2.03 118.16 122.82 1xe3 n LYS 53 Ca -0.07 0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 56.90 1xe3 n LYS 53 Cb 0.49 -5.58 -0.00 0.00 -0.02 0.00 0.00 35.03 29.91 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 -1.74 0.48 3.07 0.72 0.00 -1.26 -5.03 105.19 101.43 1xe3 n GLY 54 Ca -0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.98 0.85 0.13 1.61 1.02 -0.86 -5.12 119.74 116.40 1xe3 s LYS 55 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1xe3 s LYS 55 Cb 0.00 -0.82 -0.07 0.00 -0.52 0.00 0.00 37.83 36.42 1xe3 s LYS 55 CO 0.00 0.22 1.11 1.03 -0.92 0.00 0.00 175.35 176.79 1xe3 s ARG 56 N -0.55 4.55 -0.02 1.68 1.81 -1.26 -0.35 118.95 124.81 1xe3 s ARG 56 Ca 0.03 1.70 -0.13 0.00 -1.72 0.00 0.00 55.73 55.61 1xe3 s ARG 56 Cb -0.05 -3.31 0.02 0.00 -0.45 0.00 0.00 34.95 31.15 1xe3 s ARG 56 CO 0.00 -0.01 0.27 0.54 -0.68 0.00 0.00 175.30 175.42 1xe3 s VAL 57 N 0.18 0.06 0.27 3.52 0.11 -0.61 -4.70 120.40 119.23 1xe3 s VAL 57 Ca 0.52 -0.48 0.12 0.00 -2.93 0.00 0.00 61.98 59.21 1xe3 s VAL 57 Cb -0.29 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1xe3 s VAL 57 CO 0.33 -0.26 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.22 1xe3 s SER 58 N -1.19 3.72 -0.03 3.54 0.01 -0.77 -0.83 113.70 118.15 1xe3 s SER 58 Ca -0.12 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.16 1xe3 s SER 58 Cb -0.05 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1xe3 s SER 58 CO 0.03 0.04 0.03 -0.69 0.41 0.00 0.00 173.24 173.07 1xe3 s VAL 59 N -2.45 -0.03 -0.07 3.43 1.01 0.19 -1.22 120.40 121.26 1xe3 s VAL 59 Ca 0.30 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1xe3 s VAL 59 Cb -0.05 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.22 1xe3 s VAL 59 CO 0.15 0.13 -0.00 -1.58 0.00 0.00 0.00 175.10 173.80 1xe3 s GLN 60 N 1.43 0.60 0.36 2.72 2.00 -0.07 -1.09 119.66 125.61 1xe3 s GLN 60 Ca -0.04 0.10 -0.28 0.00 -2.00 0.00 0.00 55.36 53.13 1xe3 s GLN 60 Cb -0.13 -0.93 -0.12 0.00 0.80 0.00 0.00 33.01 32.63 1xe3 s GLN 60 CO -0.03 -0.28 1.36 0.41 -0.50 0.00 0.00 175.29 176.25 1xe3 n GLY 61 N 5.03 0.81 0.00 2.59 0.00 -0.92 -3.65 105.19 109.04 1xe3 n GLY 61 Ca -0.09 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1xe3 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xe3 n THR 62 N 0.36 0.00 -1.46 2.61 -2.24 -0.65 -4.84 114.28 108.07 1xe3 n THR 62 Ca 0.03 -0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1xe3 n THR 62 Cb 0.37 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1xe3 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xe3 n GLY 63 N 2.00 -2.08 3.63 3.38 0.00 -0.23 -3.40 105.19 108.48 1xe3 n GLY 63 Ca -0.00 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.92 3.22 0.00 1.61 -1.94 -1.26 -4.56 119.30 115.45 1xe3 s MET 64 Ca 0.00 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1xe3 s MET 64 Cb 0.00 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1xe3 s MET 64 CO 0.00 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 175.98 1xe3 n GLY 65 N 2.58 1.52 0.20 -0.03 0.00 -1.25 -4.40 105.19 103.82 1xe3 n GLY 65 Ca -0.18 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 0.51 -0.30 1.61 2.07 -1.74 -2.33 116.25 116.07 1xe3 h VAL 66 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1xe3 h VAL 66 Cb 0.00 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1xe3 h VAL 66 CO 0.00 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 176.90 1xe3 h PRO 67 N 0.02 0.47 0.42 1.57 0.11 -1.91 -0.19 132.00 132.48 1xe3 h PRO 67 Ca 0.25 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1xe3 h PRO 67 Cb 0.38 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1xe3 h PRO 67 CO -0.50 0.53 -0.20 1.03 -0.21 0.00 0.00 178.00 178.65 1xe3 h SER 68 N 0.45 -0.48 -0.90 -2.05 0.87 -1.69 -2.91 113.55 106.84 1xe3 h SER 68 Ca 0.09 -0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.77 1xe3 h SER 68 Cb 0.36 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 1xe3 h SER 68 CO 0.02 -0.04 0.58 -0.29 -0.53 0.00 0.00 176.83 176.56 1xe3 h ILE 69 N -1.11 0.83 -0.95 2.23 2.10 -1.44 -1.99 117.51 117.17 1xe3 h ILE 69 Ca -0.06 -0.24 0.04 0.00 1.08 0.00 0.00 64.86 65.68 1xe3 h ILE 69 Cb 0.48 0.07 -0.06 0.00 -1.09 0.00 0.00 36.82 36.23 1xe3 h ILE 69 CO 0.09 0.13 0.62 0.28 -1.08 0.00 0.00 178.15 178.19 1xe3 h SER 70 N 0.69 1.03 0.61 2.19 0.02 -1.09 -0.48 113.55 116.52 1xe3 h SER 70 Ca 0.45 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1xe3 h SER 70 Cb 0.74 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.05 1xe3 h SER 70 CO -0.21 0.70 -0.29 0.40 -1.14 0.00 0.00 176.83 176.29 1xe3 h ILE 71 N 1.19 0.38 -0.64 3.27 2.04 -1.15 -1.88 117.51 120.72 1xe3 h ILE 71 Ca 0.38 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 1xe3 h ILE 71 Cb 0.02 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1xe3 h ILE 71 CO -0.12 0.01 0.21 1.88 0.00 0.00 0.00 178.15 180.13 1xe3 h TYR 72 N -0.88 1.02 -0.40 1.37 -1.99 -1.36 -2.64 116.97 112.09 1xe3 h TYR 72 Ca -0.08 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.48 1xe3 h TYR 72 Cb 0.65 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1xe3 h TYR 72 CO -0.02 0.83 -0.02 0.28 -0.00 0.00 0.00 178.16 179.23 1xe3 h VAL 73 N 0.92 1.26 -0.46 -2.88 2.07 -1.12 0.15 116.25 116.20 1xe3 h VAL 73 Ca 0.21 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.77 1xe3 h VAL 73 Cb 0.28 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1xe3 h VAL 73 CO -0.01 0.35 -0.12 0.78 0.02 0.00 0.00 177.57 178.60 1xe3 h ASN 74 N 0.54 -0.44 -0.18 0.57 4.21 -1.26 -1.73 115.58 117.29 1xe3 h ASN 74 Ca 0.11 0.14 -0.13 0.00 1.21 0.00 0.00 56.30 57.63 1xe3 h ASN 74 Cb 0.51 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1xe3 h ASN 74 CO 0.02 -0.16 -0.39 -0.33 -1.29 0.00 0.00 177.43 175.29 1xe3 h GLU 75 N -0.00 0.59 -0.25 0.81 5.08 -1.27 0.26 114.58 119.79 1xe3 h GLU 75 Ca 0.22 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1xe3 h GLU 75 Cb 0.34 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1xe3 h GLU 75 CO -0.48 1.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.36 1xe3 h LEU 76 N 0.26 -0.35 0.13 1.33 3.38 -0.60 0.24 115.31 119.70 1xe3 h LEU 76 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xe3 h LEU 76 Cb 0.99 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xe3 h LEU 76 CO 0.09 -0.13 -0.06 0.40 0.09 0.00 0.00 178.44 178.82 1xe3 h ILE 77 N -0.06 1.04 0.11 1.22 2.04 -1.30 -2.30 117.51 118.26 1xe3 h ILE 77 Ca 0.13 -0.89 -0.29 0.00 1.00 0.00 0.00 64.86 64.81 1xe3 h ILE 77 Cb 0.26 1.58 0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1xe3 h ILE 77 CO -0.29 0.20 -1.20 1.56 0.00 0.00 0.00 178.15 178.42 1xe3 h GLN 78 N -0.61 0.62 0.00 2.37 1.08 -0.94 -2.90 115.11 114.73 1xe3 h GLN 78 Ca -0.02 -0.82 -0.26 0.00 -1.45 0.00 0.00 58.65 56.10 1xe3 h GLN 78 Cb 0.47 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 28.12 1xe3 h GLN 78 CO 0.03 1.37 -1.74 0.43 -0.95 0.00 0.00 178.83 177.97 1xe3 n SER 79 N -3.82 0.72 0.00 1.46 7.64 0.84 -4.53 113.62 115.93 1xe3 n SER 79 Ca -0.14 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1xe3 n SER 79 Cb 0.97 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 -2.94 0.00 -1.93 1.43 4.01 -0.90 -4.95 117.16 111.87 1xe3 n TYR 80 Ca -0.17 -0.40 -0.20 0.00 -0.16 0.00 0.00 57.90 56.97 1xe3 n TYR 80 Cb 1.00 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.93 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 -0.40 0.92 3.76 2.72 0.00 -0.97 -4.84 105.19 106.38 1xe3 n GLY 81 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.87 2.75 0.00 1.61 1.01 -1.03 -4.80 120.40 117.07 1xe3 s VAL 82 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1xe3 s VAL 82 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1xe3 s VAL 82 CO 0.00 -0.08 0.00 0.29 0.00 0.00 0.00 175.10 175.31 1xe3 n LYS 83 N -1.29 0.21 -5.20 2.72 5.02 0.78 -4.62 118.16 115.78 1xe3 n LYS 83 Ca 0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1xe3 n LYS 83 Cb 0.49 -0.84 -0.17 0.00 -0.02 0.00 0.00 35.03 34.49 1xe3 n LYS 83 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xe3 s ASN 84 N -3.58 3.16 -0.09 4.39 0.01 -0.56 -0.91 114.94 117.36 1xe3 s ASN 84 Ca 0.00 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 1xe3 s ASN 84 Cb 0.00 -1.29 0.03 0.00 0.41 0.00 0.00 41.25 40.40 1xe3 s ASN 84 CO 0.00 0.18 0.02 -0.76 -1.51 0.00 0.00 177.10 175.03 1xe3 s LEU 85 N 0.22 0.63 -0.20 0.60 1.02 0.11 -1.61 118.68 119.45 1xe3 s LEU 85 Ca -0.15 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 53.81 1xe3 s LEU 85 Cb -0.17 -0.43 0.03 0.00 0.02 0.00 0.00 46.19 45.64 1xe3 s LEU 85 CO 0.07 -0.22 -0.17 -0.63 0.02 0.00 0.00 176.35 175.42 1xe3 s ILE 86 N 1.98 2.03 0.01 -0.59 1.01 -0.23 -1.69 121.20 123.71 1xe3 s ILE 86 Ca 0.04 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1xe3 s ILE 86 Cb -0.13 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1xe3 s ILE 86 CO -0.06 0.37 1.05 -0.60 0.00 0.00 0.00 174.94 175.70 1xe3 s ARG 87 N 1.26 4.51 -0.08 2.79 3.52 0.17 -0.17 118.95 130.95 1xe3 s ARG 87 Ca 0.01 1.52 0.04 0.00 -0.13 0.00 0.00 55.73 57.17 1xe3 s ARG 87 Cb -0.15 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1xe3 s ARG 87 CO -0.11 -0.14 -0.21 0.14 -0.81 0.00 0.00 175.30 174.18 1xe3 s VAL 88 N 1.14 2.41 0.00 7.11 -7.23 -1.20 -0.81 120.40 121.82 1xe3 s VAL 88 Ca 0.54 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1xe3 s VAL 88 Cb -0.23 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1xe3 s VAL 88 CO 0.27 0.56 0.02 0.61 -0.31 0.00 0.00 175.10 176.26 1xe3 n GLY 89 N 3.07 0.76 3.68 2.32 0.00 -1.12 -4.14 105.19 109.76 1xe3 n GLY 89 Ca -0.18 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.23 2.67 0.18 2.61 -4.23 -1.26 -0.29 115.64 113.08 1xe3 s THR 90 Ca 0.01 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.54 1xe3 s THR 90 Cb -0.00 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1xe3 s THR 90 CO 0.00 -0.15 0.43 0.00 -0.54 0.00 0.00 174.62 174.36 1xe3 s GLY 92 N -2.90 1.90 0.20 0.00 0.00 -0.70 -0.85 107.32 104.97 1xe3 s GLY 92 Ca 0.11 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 1xe3 s GLY 92 CO -0.03 0.11 1.08 0.00 0.00 0.00 0.00 173.10 174.26 1xe3 s ALA 93 N 0.50 3.37 0.00 3.20 0.00 0.46 -0.08 121.76 129.22 1xe3 s ALA 93 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1xe3 s ALA 93 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1xe3 s ALA 93 CO 0.01 -0.15 0.34 0.44 0.00 0.00 0.00 175.76 176.41 1xe3 n ILE 94 N 2.03 0.00 -4.35 0.00 -5.35 -0.67 -0.03 119.36 110.98 1xe3 n ILE 94 Ca 0.01 -0.35 -0.35 0.00 -0.27 0.00 0.00 62.75 61.79 1xe3 n ILE 94 Cb 0.46 1.29 -0.10 0.00 -1.74 0.00 0.00 39.64 39.55 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 -0.02 3.10 0.56 6.28 -0.44 -1.18 -4.37 119.66 123.59 1xe3 s GLN 95 Ca 0.00 -0.41 0.25 0.00 -2.50 0.00 0.00 55.36 52.70 1xe3 s GLN 95 Cb 0.00 -2.83 1.62 0.00 -1.64 0.00 0.00 33.01 30.16 1xe3 s GLN 95 CO 0.00 0.64 2.21 1.57 0.50 0.00 0.00 175.29 180.21 1xe3 h LYS 96 N 5.37 0.00 -0.02 1.67 2.10 -1.93 -2.43 116.57 121.33 1xe3 h LYS 96 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1xe3 h LYS 96 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xe3 h LYS 96 CO 0.56 0.01 -0.21 -0.25 -2.00 0.00 0.00 179.45 177.56 1xe3 n ASP 97 N -4.06 2.53 -4.74 7.07 8.00 -1.26 -4.94 116.55 119.15 1xe3 n ASP 97 Ca -0.03 -1.77 -0.41 0.00 0.71 0.00 0.00 54.79 53.30 1xe3 n ASP 97 Cb 0.09 0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1xe3 n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xe3 s VAL 98 N -2.17 4.22 0.17 2.53 1.01 -0.92 -5.05 120.40 120.19 1xe3 s VAL 98 Ca 0.23 2.04 0.10 0.00 0.00 0.00 0.00 61.98 64.35 1xe3 s VAL 98 Cb 0.19 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1xe3 s VAL 98 CO 0.41 0.41 -0.17 -0.54 0.00 0.00 0.00 175.10 175.21 1xe3 s LYS 99 N -0.64 1.78 0.47 2.72 -0.14 -1.26 -4.91 119.74 117.76 1xe3 s LYS 99 Ca 0.44 -1.35 -0.24 0.00 -1.36 0.00 0.00 55.97 53.46 1xe3 s LYS 99 Cb -0.25 -2.02 -0.08 0.00 -1.68 0.00 0.00 37.83 33.79 1xe3 s LYS 99 CO 0.32 0.43 1.35 1.33 -0.76 0.00 0.00 175.35 178.01 1xe3 n VAL 100 N 0.31 2.97 -0.65 3.17 0.24 -1.26 -2.15 118.33 120.96 1xe3 n VAL 100 Ca -0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1xe3 n VAL 100 Cb 0.55 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1xe3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xe3 n ARG 101 N -0.32 0.00 -1.75 7.34 1.74 0.71 -4.97 116.66 119.41 1xe3 n ARG 101 Ca 0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 1xe3 n ARG 101 Cb 0.42 -2.30 0.03 0.00 -1.02 0.00 0.00 32.46 29.58 1xe3 n ARG 101 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xe3 n ASP 102 N 0.00 3.03 -4.33 0.55 9.92 -0.91 -4.52 116.55 120.28 1xe3 n ASP 102 Ca 0.00 1.07 -0.36 0.00 -0.53 0.00 0.00 54.79 54.97 1xe3 n ASP 102 Cb 0.00 -1.58 -0.13 0.00 -0.64 0.00 0.00 41.12 38.76 1xe3 n ASP 102 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1xe3 s VAL 103 N -1.23 3.61 -0.18 2.53 -7.23 0.34 -0.63 120.40 117.61 1xe3 s VAL 103 Ca 0.65 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 60.13 1xe3 s VAL 103 Cb -0.44 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1xe3 s VAL 103 CO 0.55 0.32 0.43 -0.63 -0.31 0.00 0.00 175.10 175.46 1xe3 s ILE 104 N 1.49 5.19 -0.31 -0.62 -1.09 0.22 -1.49 121.20 124.60 1xe3 s ILE 104 Ca 0.05 0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 59.19 1xe3 s ILE 104 Cb -0.15 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1xe3 s ILE 104 CO -0.01 0.27 0.10 -0.63 -1.23 0.00 0.00 174.94 173.44 1xe3 s ILE 105 N 1.13 4.11 -0.43 2.92 1.01 -0.27 -0.47 121.20 129.19 1xe3 s ILE 105 Ca 0.21 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1xe3 s ILE 105 Cb -0.15 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1xe3 s ILE 105 CO 0.08 0.03 0.96 0.00 0.00 0.00 0.00 174.94 176.02 1xe3 s ALA 106 N 1.52 3.29 0.07 9.38 0.00 -1.02 -2.45 121.76 132.55 1xe3 s ALA 106 Ca 0.03 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 1xe3 s ALA 106 Cb -0.17 -3.64 -0.14 0.00 0.00 0.00 0.00 23.12 19.16 1xe3 s ALA 106 CO 0.03 -1.91 1.62 0.52 0.00 0.00 0.00 175.76 176.03 1xe3 h MET 107 N 8.86 0.10 -4.15 0.00 2.86 -1.47 -3.41 114.93 117.71 1xe3 h MET 107 Ca -0.23 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.13 1xe3 h MET 107 Cb 1.07 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.63 1xe3 h MET 107 CO 1.03 0.20 -0.24 0.95 1.06 0.00 0.00 176.91 179.91 1xe3 s THR 108 N -5.65 0.00 -0.04 2.22 -4.23 -1.25 -1.51 115.64 105.17 1xe3 s THR 108 Ca -0.14 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1xe3 s THR 108 Cb 0.06 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1xe3 s THR 108 CO 0.68 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 174.65 1xe3 s ALA 109 N -3.31 1.11 0.71 3.99 0.00 -1.26 -2.48 121.76 120.52 1xe3 s ALA 109 Ca 0.31 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1xe3 s ALA 109 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1xe3 s ALA 109 CO 0.19 0.15 1.07 0.00 0.00 0.00 0.00 175.76 177.16 1xe3 s THR 111 N -3.09 0.09 0.00 0.00 -1.32 -1.26 -0.13 115.64 109.94 1xe3 s THR 111 Ca 0.58 -0.77 0.11 0.00 -1.21 0.00 0.00 61.69 60.40 1xe3 s THR 111 Cb -0.14 -1.06 -0.22 0.00 -1.51 0.00 0.00 72.50 69.57 1xe3 s THR 111 CO 0.55 -0.43 0.87 -0.78 -2.21 0.00 0.00 174.62 172.61 1xe3 h ASP 112 N 2.97 0.00 -4.05 8.08 3.58 -1.80 -3.49 116.42 121.71 1xe3 h ASP 112 Ca -0.33 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.59 1xe3 h ASP 112 Cb 1.21 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.37 1xe3 h ASP 112 CO 0.48 0.98 0.54 -0.55 -2.88 0.00 0.00 179.24 177.81 1xe3 s SER 113 N -6.27 5.46 0.00 2.28 0.15 -1.26 -4.87 113.70 109.19 1xe3 s SER 113 Ca -0.03 2.56 0.27 0.00 0.70 0.00 0.00 55.95 59.45 1xe3 s SER 113 Cb 0.09 -2.62 1.01 0.00 -1.71 0.00 0.00 66.02 62.79 1xe3 s SER 113 CO 0.82 -1.42 1.72 -3.20 1.20 0.00 0.00 173.24 172.36 1xe3 n ASN 114 N -1.04 1.53 -0.21 5.45 5.15 -1.26 -4.57 115.26 120.30 1xe3 n ASN 114 Ca 0.10 -1.53 0.02 0.00 -0.60 0.00 0.00 54.58 52.57 1xe3 n ASN 114 Cb 0.47 -0.01 0.11 0.00 -0.53 0.00 0.00 39.78 39.82 1xe3 n ASN 114 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1xe3 h MET 115 N 2.34 0.13 0.03 1.20 4.05 -2.01 -1.38 114.93 119.30 1xe3 h MET 115 Ca 0.00 -0.01 -0.29 0.00 -0.28 0.00 0.00 59.70 59.12 1xe3 h MET 115 Cb 0.50 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1xe3 h MET 115 CO 0.00 0.09 -1.62 -0.91 0.23 0.00 0.00 176.91 174.70 1xe3 h ASN 116 N 0.14 0.11 -0.73 1.39 -0.26 -1.98 -3.27 115.58 110.98 1xe3 h ASN 116 Ca 0.34 -0.20 0.03 0.00 -0.56 0.00 0.00 56.30 55.91 1xe3 h ASN 116 Cb 0.55 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.74 1xe3 h ASN 116 CO -0.53 1.18 0.48 0.03 -1.06 0.00 0.00 177.43 177.53 1xe3 h ARG 117 N 0.02 0.86 -0.57 0.81 2.47 -1.75 0.74 114.38 116.96 1xe3 h ARG 117 Ca -0.26 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1xe3 h ARG 117 Cb 1.98 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 30.08 1xe3 h ARG 117 CO 0.10 0.57 0.35 -0.07 0.56 0.00 0.00 179.97 181.48 1xe3 h LEU 118 N 0.89 0.69 -0.37 3.04 3.38 -1.36 -2.76 115.31 118.81 1xe3 h LEU 118 Ca 0.29 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1xe3 h LEU 118 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xe3 h LEU 118 CO -0.08 0.54 -0.73 0.74 0.09 0.00 0.00 178.44 179.00 1xe3 h THR 119 N 0.78 1.36 -2.47 0.22 2.02 -1.42 -3.38 112.91 110.02 1xe3 h THR 119 Ca 0.21 -2.12 -0.60 0.00 0.77 0.00 0.00 66.41 64.67 1xe3 h THR 119 Cb -0.02 2.09 -0.40 0.00 -1.74 0.00 0.00 68.15 68.08 1xe3 h THR 119 CO -0.04 0.64 -0.80 0.49 0.37 0.00 0.00 175.52 176.19 1xe3 n PHE 120 N -3.85 1.48 -1.68 3.16 3.01 0.18 -5.11 117.46 114.66 1xe3 n PHE 120 Ca -0.05 -3.85 -0.45 0.00 1.01 0.00 0.00 57.45 54.11 1xe3 n PHE 120 Cb 0.71 -0.31 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.83 2.33 -0.52 -1.08 -0.02 -1.04 -1.58 135.00 134.92 1xe3 n PRO 121 Ca 0.25 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1xe3 n PRO 121 Cb 0.44 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 3.67 1.19 3.48 -1.23 0.00 -1.26 -5.04 105.19 106.00 1xe3 n GLY 122 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.22 2.70 -0.45 1.61 0.40 -0.61 -5.09 117.98 113.31 1xe3 s PHE 123 Ca 0.00 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 55.92 1xe3 s PHE 123 Cb 0.00 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.95 1xe3 s PHE 123 CO 0.00 0.21 0.90 -0.51 0.70 0.00 0.00 175.22 176.52 1xe3 s ASP 124 N -0.87 6.49 -0.22 1.36 1.01 -1.26 -4.70 116.67 118.47 1xe3 s ASP 124 Ca 0.12 0.10 -0.19 0.00 0.71 0.00 0.00 52.55 53.29 1xe3 s ASP 124 Cb -0.11 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1xe3 s ASP 124 CO 0.02 -1.01 0.58 0.12 0.21 0.00 0.00 175.17 175.08 1xe3 s PHE 125 N 3.64 3.33 -0.40 4.23 5.36 -1.26 -5.05 117.98 127.83 1xe3 s PHE 125 Ca 0.36 0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1xe3 s PHE 125 Cb -0.11 -2.76 0.11 0.00 -0.34 0.00 0.00 43.02 39.93 1xe3 s PHE 125 CO 0.25 -0.21 0.18 0.00 -1.46 0.00 0.00 175.22 173.98 1xe3 s ALA 126 N 2.04 3.12 0.25 11.12 0.00 -1.26 -4.99 121.76 132.04 1xe3 s ALA 126 Ca 0.25 -2.57 -0.27 0.00 0.00 0.00 0.00 51.96 49.37 1xe3 s ALA 126 Cb -0.16 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1xe3 s ALA 126 CO 0.09 -1.79 0.89 -1.25 0.00 0.00 0.00 175.76 173.70 1xe3 s PRO 127 N 1.03 4.65 -0.07 0.00 0.04 -1.26 -5.00 135.00 134.38 1xe3 s PRO 127 Ca 0.09 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 1xe3 s PRO 127 Cb -0.22 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1xe3 s PRO 127 CO -0.05 0.43 -0.04 0.00 0.04 0.00 0.00 177.00 177.38 1xe3 s ALA 128 N -1.36 3.09 0.76 8.56 0.00 -1.26 -4.07 121.76 127.48 1xe3 s ALA 128 Ca 0.43 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 1xe3 s ALA 128 Cb -0.22 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1xe3 s ALA 128 CO 0.27 0.58 0.82 0.00 0.00 0.00 0.00 175.76 177.43 1xe3 n ALA 129 N 2.19 -0.81 -2.03 0.00 0.00 -0.57 -4.90 120.51 114.38 1xe3 n ALA 129 Ca -0.18 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 1xe3 n ALA 129 Cb 0.53 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1xe3 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xe3 s ASN 130 N -1.71 6.69 0.24 0.00 2.47 -0.43 -4.93 114.94 117.27 1xe3 s ASN 130 Ca 0.69 2.28 -0.00 0.00 0.42 0.00 0.00 52.86 56.25 1xe3 s ASN 130 Cb -0.32 -2.55 0.26 0.00 -1.45 0.00 0.00 41.25 37.19 1xe3 s ASN 130 CO 0.54 -0.86 1.63 0.15 -3.72 0.00 0.00 177.10 174.84 1xe3 h PHE 131 N 8.72 0.63 -0.52 0.43 3.57 -1.92 -2.14 116.94 125.71 1xe3 h PHE 131 Ca -0.40 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 60.86 1xe3 h PHE 131 Cb 1.18 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1xe3 h PHE 131 CO 0.82 0.83 0.05 -0.44 -2.23 0.00 0.00 178.31 177.34 1xe3 h ASP 132 N 0.46 0.85 -0.74 0.41 3.32 -1.98 0.17 116.42 118.90 1xe3 h ASP 132 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1xe3 h ASP 132 Cb 0.84 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1xe3 h ASP 132 CO 0.07 0.92 0.43 -0.07 -1.72 0.00 0.00 179.24 178.87 1xe3 h LEU 133 N 0.75 0.90 -0.06 1.55 3.38 -1.89 -2.14 115.31 117.80 1xe3 h LEU 133 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xe3 h LEU 133 Cb 0.45 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xe3 h LEU 133 CO 0.02 0.71 0.00 0.25 0.09 0.00 0.00 178.44 179.51 1xe3 h LEU 134 N 1.02 0.10 -0.33 1.67 6.46 -0.89 -0.88 115.31 122.46 1xe3 h LEU 134 Ca 0.26 -0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1xe3 h LEU 134 Cb -0.01 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1xe3 h LEU 134 CO -0.05 0.36 0.05 0.50 -0.62 0.00 0.00 178.44 178.69 1xe3 h LYS 135 N -0.17 0.16 -0.18 1.25 3.64 -0.99 -0.99 116.57 119.29 1xe3 h LYS 135 Ca 0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1xe3 h LYS 135 Cb 0.31 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1xe3 h LYS 135 CO 0.00 0.11 -0.20 0.87 -2.27 0.00 0.00 179.45 177.95 1xe3 h LYS 136 N 0.16 -0.23 -0.42 1.90 1.57 -1.20 -1.76 116.57 116.60 1xe3 h LYS 136 Ca 0.15 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1xe3 h LYS 136 Cb 0.18 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1xe3 h LYS 136 CO -0.21 -0.15 0.27 0.00 -0.57 0.00 0.00 179.45 178.78 1xe3 h ALA 137 N 0.80 0.54 0.18 3.86 0.00 -1.02 -1.98 119.26 121.64 1xe3 h ALA 137 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xe3 h ALA 137 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xe3 h ALA 137 CO -0.31 0.01 -0.21 -0.92 0.00 0.00 0.00 179.25 177.82 1xe3 h TYR 138 N 0.56 -0.56 -0.39 0.00 3.20 -1.02 0.12 116.97 118.90 1xe3 h TYR 138 Ca 0.15 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1xe3 h TYR 138 Cb -0.03 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1xe3 h TYR 138 CO -0.04 -0.31 0.19 -0.44 -1.64 0.00 0.00 178.16 175.92 1xe3 h ASP 139 N -0.44 0.28 -0.55 -2.11 3.32 -1.24 -0.60 116.42 115.08 1xe3 h ASP 139 Ca 0.01 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1xe3 h ASP 139 Cb 0.42 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1xe3 h ASP 139 CO -0.07 0.21 0.23 0.00 -1.72 0.00 0.00 179.24 177.88 1xe3 h ALA 140 N 1.20 0.72 -0.40 3.45 0.00 -1.25 -1.62 119.26 121.36 1xe3 h ALA 140 Ca 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xe3 h ALA 140 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xe3 h ALA 140 CO -0.12 0.32 -0.13 0.78 0.00 0.00 0.00 179.25 180.11 1xe3 h GLY 141 N 0.75 0.86 1.36 0.00 0.00 -0.54 -2.28 103.07 103.22 1xe3 h GLY 141 Ca 0.18 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1xe3 h GLY 141 CO -0.02 0.67 0.00 -0.91 0.00 0.00 0.00 176.54 176.28 1xe3 h THR 142 N 0.60 1.24 -0.42 4.70 1.35 -1.05 -1.36 112.91 117.98 1xe3 h THR 142 Ca 0.10 -0.99 -0.04 0.00 -0.55 0.00 0.00 66.41 64.93 1xe3 h THR 142 Cb 0.66 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1xe3 h THR 142 CO 0.05 0.35 0.08 -0.33 -0.25 0.00 0.00 175.52 175.42 1xe3 h GLU 143 N 0.73 0.62 -0.05 4.72 4.39 -1.15 -1.91 114.58 121.93 1xe3 h GLU 143 Ca 0.14 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xe3 h GLU 143 Cb 0.44 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xe3 h GLU 143 CO 0.02 0.59 0.00 1.63 -1.16 0.00 0.00 179.01 180.08 1xe3 n LYS 144 N -4.31 1.22 -1.59 2.33 4.76 -0.87 -4.91 118.16 114.78 1xe3 n LYS 144 Ca 0.03 -0.33 -0.08 0.00 -2.87 0.00 0.00 58.31 55.06 1xe3 n LYS 144 Cb 0.21 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.87 0.62 3.81 0.72 0.00 -0.72 -5.02 105.19 105.47 1xe3 n GLY 145 Ca 0.14 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 3.55 -1.25 0.99 1.43 -0.53 -4.94 118.68 115.93 1xe3 s LEU 146 Ca 0.00 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.77 1xe3 s LEU 146 Cb 0.00 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.83 1xe3 s LEU 146 CO 0.00 -1.06 1.58 1.41 0.23 0.00 0.00 176.35 178.51 1xe3 n HIS 147 N -1.85 4.59 -3.03 0.29 8.25 -1.26 -4.61 115.22 117.59 1xe3 n HIS 147 Ca 0.09 -3.18 -0.40 0.00 -0.26 0.00 0.00 57.72 53.97 1xe3 n HIS 147 Cb 0.53 -2.25 -0.05 0.00 1.12 0.00 0.00 29.99 29.34 1xe3 n HIS 147 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xe3 s VAL 148 N 1.92 4.74 0.00 1.59 0.11 -1.26 -0.51 120.40 127.00 1xe3 s VAL 148 Ca 0.45 1.55 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 1xe3 s VAL 148 Cb 0.01 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 1xe3 s VAL 148 CO 0.01 0.39 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.90 1xe3 s ARG 149 N -0.18 1.13 -0.16 1.54 0.52 -0.56 -4.94 118.95 116.31 1xe3 s ARG 149 Ca 0.37 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1xe3 s ARG 149 Cb -0.20 -1.11 0.01 0.00 0.52 0.00 0.00 34.95 34.16 1xe3 s ARG 149 CO 0.22 0.30 -0.18 0.08 0.02 0.00 0.00 175.30 175.74 1xe3 s VAL 150 N -0.46 2.37 -0.29 3.52 1.01 -1.26 -1.12 120.40 124.17 1xe3 s VAL 150 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1xe3 s VAL 150 Cb -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1xe3 s VAL 150 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1xe3 n GLY 151 N 4.27 -1.17 3.90 4.51 0.00 -1.03 -4.95 105.19 110.71 1xe3 n GLY 151 Ca -0.20 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.00 6.43 0.27 1.61 6.03 -1.26 -1.10 114.94 122.91 1xe3 s ASN 152 Ca 0.00 0.88 0.04 0.00 -1.03 0.00 0.00 52.86 52.75 1xe3 s ASN 152 Cb 0.00 -2.22 -0.06 0.00 -3.03 0.00 0.00 41.25 35.95 1xe3 s ASN 152 CO 0.00 -0.35 0.02 0.68 -2.03 0.00 0.00 177.10 175.42 1xe3 s VAL 153 N -2.32 1.11 -0.22 3.54 -7.23 -1.04 -1.80 120.40 112.45 1xe3 s VAL 153 Ca 0.47 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1xe3 s VAL 153 Cb -0.10 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1xe3 s VAL 153 CO 0.34 -0.20 0.07 -0.22 -0.31 0.00 0.00 175.10 174.78 1xe3 s LEU 154 N -3.37 3.62 -0.40 1.32 0.20 -0.26 0.50 118.68 120.29 1xe3 s LEU 154 Ca 0.32 -0.08 -0.18 0.00 0.69 0.00 0.00 54.13 54.88 1xe3 s LEU 154 Cb 0.06 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.89 1xe3 s LEU 154 CO 0.11 0.05 0.50 -0.89 -0.29 0.00 0.00 176.35 175.84 1xe3 s THR 155 N 1.10 5.01 -0.07 3.68 2.01 0.82 -0.83 115.64 127.36 1xe3 s THR 155 Ca 0.04 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1xe3 s THR 155 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1xe3 s THR 155 CO 0.03 -0.38 0.16 0.00 -0.69 0.00 0.00 174.62 173.75 1xe3 s ALA 156 N 2.36 3.91 -0.24 7.40 0.00 0.23 -2.09 121.76 133.34 1xe3 s ALA 156 Ca 0.16 -0.69 0.19 0.00 0.00 0.00 0.00 51.96 51.62 1xe3 s ALA 156 Cb -0.16 -1.93 0.08 0.00 0.00 0.00 0.00 23.12 21.11 1xe3 s ALA 156 CO 0.15 0.67 1.29 -0.44 0.00 0.00 0.00 175.76 177.43 1xe3 h ASP 157 N 4.48 0.00 -3.23 0.00 3.32 -1.89 -3.40 116.42 115.69 1xe3 h ASP 157 Ca -0.52 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.86 1xe3 h ASP 157 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 1xe3 h ASP 157 CO 0.63 0.30 -0.81 0.68 -1.72 0.00 0.00 179.24 178.32 1xe3 s VAL 158 N -3.09 2.58 -0.02 -1.35 -7.23 -1.26 -4.99 120.40 105.04 1xe3 s VAL 158 Ca 0.03 -0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 59.20 1xe3 s VAL 158 Cb 0.07 -2.10 -0.24 0.00 0.56 0.00 0.00 36.38 34.67 1xe3 s VAL 158 CO 0.75 0.51 1.06 0.15 -0.31 0.00 0.00 175.10 177.25 1xe3 h PHE 159 N 7.64 0.52 -3.51 2.82 3.57 -1.99 -3.39 116.94 122.59 1xe3 h PHE 159 Ca -0.38 -0.29 -0.79 0.00 3.53 0.00 0.00 57.97 60.04 1xe3 h PHE 159 Cb 1.17 -0.05 -0.26 0.00 2.79 0.00 0.00 35.95 39.59 1xe3 h PHE 159 CO 0.51 1.12 0.42 0.71 -2.23 0.00 0.00 178.31 178.84 1xe3 s TYR 160 N -3.09 4.03 0.13 0.41 1.51 -1.26 -5.04 117.35 114.04 1xe3 s TYR 160 Ca -0.14 -2.39 -0.26 0.00 -1.01 0.00 0.00 57.07 53.26 1xe3 s TYR 160 Cb 0.03 -3.88 -0.07 0.00 -0.11 0.00 0.00 41.96 37.92 1xe3 s TYR 160 CO 0.80 -1.01 0.82 0.50 -1.11 0.00 0.00 175.55 175.55 1xe3 s ARG 161 N -0.49 4.60 -0.04 -0.62 3.52 -1.26 -4.99 118.95 119.68 1xe3 s ARG 161 Ca 0.28 1.22 -0.26 0.00 -0.13 0.00 0.00 55.73 56.84 1xe3 s ARG 161 Cb -0.09 -3.31 -0.20 0.00 -1.56 0.00 0.00 34.95 29.78 1xe3 s ARG 161 CO -0.08 0.43 1.18 0.93 -0.81 0.00 0.00 175.30 176.96 1xe3 h GLU 162 N 4.85 -0.03 -5.94 5.12 4.39 -1.98 -3.44 114.58 117.55 1xe3 h GLU 162 Ca -0.45 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.57 1xe3 h GLU 162 Cb 1.21 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.69 1xe3 h GLU 162 CO 0.68 0.49 -0.65 0.45 -1.16 0.00 0.00 179.01 178.83 1xe3 s SER 163 N -5.70 4.99 -0.10 1.42 0.15 -1.26 -5.00 113.70 108.20 1xe3 s SER 163 Ca -0.16 0.05 0.17 0.00 0.70 0.00 0.00 55.95 56.72 1xe3 s SER 163 Cb 0.01 -1.41 0.63 0.00 -1.71 0.00 0.00 66.02 63.53 1xe3 s SER 163 CO 0.65 0.34 1.54 0.23 1.20 0.00 0.00 173.24 177.21 1xe3 n MET 164 N 2.36 3.44 -0.06 5.44 2.81 -1.26 -4.69 117.12 125.16 1xe3 n MET 164 Ca -0.18 -2.74 -0.10 0.00 -1.81 0.00 0.00 57.70 52.86 1xe3 n MET 164 Cb 0.53 -1.77 0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 3.48 0.80 0.04 7.83 3.32 -1.99 -1.29 116.42 128.62 1xe3 h ASP 165 Ca 0.00 -0.37 -0.24 0.00 0.02 0.00 0.00 57.03 56.44 1xe3 h ASP 165 Cb 1.31 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.65 1xe3 h ASP 165 CO 0.18 1.11 -0.92 0.24 -1.72 0.00 0.00 179.24 178.14 1xe3 h MET 166 N 0.61 0.65 -0.01 3.56 2.86 -1.99 -2.03 114.93 118.58 1xe3 h MET 166 Ca 0.05 -0.63 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 1xe3 h MET 166 Cb 0.97 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1xe3 h MET 166 CO 0.09 1.23 -0.38 -0.39 1.06 0.00 0.00 176.91 178.52 1xe3 h VAL 167 N 0.40 1.28 -0.45 -2.22 -1.51 -1.87 0.20 116.25 112.07 1xe3 h VAL 167 Ca -0.09 -1.33 -0.05 0.00 -1.23 0.00 0.00 66.70 64.00 1xe3 h VAL 167 Cb 1.55 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.39 1xe3 h VAL 167 CO 0.18 0.38 0.08 0.50 -1.23 0.00 0.00 177.57 177.48 1xe3 h LYS 168 N 0.02 0.75 -0.37 5.19 3.11 -1.19 -1.63 116.57 122.45 1xe3 h LYS 168 Ca -0.00 -0.20 -0.14 0.00 -2.81 0.00 0.00 60.65 57.49 1xe3 h LYS 168 Cb 0.69 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1xe3 h LYS 168 CO 0.05 0.77 -0.35 -0.22 -2.81 0.00 0.00 179.45 176.89 1xe3 h LYS 169 N 0.62 0.84 -0.37 1.90 3.64 -0.71 -1.85 116.57 120.64 1xe3 h LYS 169 Ca 0.14 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1xe3 h LYS 169 Cb 0.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1xe3 h LYS 169 CO 0.01 1.06 0.13 -0.07 -2.27 0.00 0.00 179.45 178.31 1xe3 h LEU 170 N 0.70 0.15 -0.72 5.20 4.07 -0.57 -1.93 115.31 122.20 1xe3 h LEU 170 Ca 0.07 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.15 1xe3 h LEU 170 Cb 0.91 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.61 1xe3 h LEU 170 CO 0.08 0.12 0.38 1.23 -1.08 0.00 0.00 178.44 179.18 1xe3 h GLY 171 N 0.29 1.09 0.82 0.83 0.00 -1.08 -1.35 103.07 103.66 1xe3 h GLY 171 Ca 0.17 -0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.37 1xe3 h GLY 171 CO -0.17 0.10 0.48 -0.55 0.00 0.00 0.00 176.54 176.40 1xe3 h ASP 172 N 0.67 0.46 -0.16 0.19 3.32 -0.96 -0.95 116.42 118.99 1xe3 h ASP 172 Ca 0.35 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1xe3 h ASP 172 Cb 0.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xe3 h ASP 172 CO -0.24 0.26 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 1xe3 n TYR 173 N -4.49 0.40 -0.39 4.55 4.02 -0.56 -4.91 117.16 115.78 1xe3 n TYR 173 Ca 0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1xe3 n TYR 173 Cb 0.43 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 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 0.43 0.75 3.74 2.72 0.00 -0.36 -5.05 105.19 107.42 1xe3 n GLY 174 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1xe3 n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xe3 s VAL 175 N -2.81 3.58 -0.16 1.61 -7.23 -0.90 -4.65 120.40 109.84 1xe3 s VAL 175 Ca 0.00 1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 61.43 1xe3 s VAL 175 Cb 0.00 -3.87 -0.23 0.00 0.56 0.00 0.00 36.38 32.83 1xe3 s VAL 175 CO 0.00 0.24 0.27 0.18 -0.31 0.00 0.00 175.10 175.47 1xe3 n LEU 176 N 2.29 2.40 -3.89 1.32 4.77 -0.74 -4.05 117.00 119.09 1xe3 n LEU 176 Ca 0.03 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1xe3 n LEU 176 Cb 0.45 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1xe3 n LEU 176 CO 0.55 0.68 0.40 0.00 -1.33 0.00 0.00 177.39 177.69 1xe3 s ALA 177 N -2.50 -0.96 -0.06 -1.18 0.00 -1.26 -1.68 121.76 114.12 1xe3 s ALA 177 Ca -0.26 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1xe3 s ALA 177 Cb 0.07 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 1xe3 s ALA 177 CO 0.70 -0.99 -0.19 0.54 0.00 0.00 0.00 175.76 175.81 1xe3 s VAL 178 N -3.88 2.57 0.00 0.00 0.11 0.89 -1.10 120.40 118.98 1xe3 s VAL 178 Ca 0.14 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1xe3 s VAL 178 Cb -0.05 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1xe3 s VAL 178 CO 0.08 0.57 0.00 -1.84 -3.33 0.00 0.00 175.10 170.58 1xe3 n GLU 179 N 2.78 0.00 0.00 1.54 -0.00 -0.01 -1.72 120.64 123.23 1xe3 n GLU 179 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1xe3 n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.92 0.00 3.44 2.81 -1.26 -0.60 117.12 122.43 1xe3 n MET 180 Ca 0.00 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1xe3 n MET 180 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.16 1.74 0.22 0.03 4.71 -1.26 -2.18 120.64 123.73 1xe3 n GLU 181 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.25 1xe3 n GLU 181 Cb 0.40 -0.68 0.46 0.00 -1.01 0.00 0.00 31.44 30.62 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 0.59 -0.30 2.62 1.35 -1.95 -2.22 112.91 113.01 1xe3 h THR 182 Ca 0.00 -1.13 -0.07 0.00 -0.55 0.00 0.00 66.41 64.66 1xe3 h THR 182 Cb 0.31 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1xe3 h THR 182 CO 0.00 0.23 -0.11 0.00 -0.25 0.00 0.00 175.52 175.39 1xe3 h THR 183 N 0.00 1.23 -0.16 6.82 1.03 -1.91 -0.85 112.91 119.07 1xe3 h THR 183 Ca -0.00 -1.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.37 1xe3 h THR 183 Cb 0.74 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.94 1xe3 h THR 183 CO 0.03 0.33 0.02 0.00 -0.01 0.00 0.00 175.52 175.89 1xe3 h ALA 184 N 1.41 0.21 -0.34 0.00 0.00 -1.76 -1.59 119.26 117.20 1xe3 h ALA 184 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xe3 h ALA 184 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xe3 h ALA 184 CO 0.03 -0.11 0.14 1.25 0.00 0.00 0.00 179.25 180.56 1xe3 h LEU 185 N 0.04 0.47 -0.37 0.00 5.85 -1.34 -1.58 115.31 118.39 1xe3 h LEU 185 Ca 0.05 -0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 1xe3 h LEU 185 Cb 0.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1xe3 h LEU 185 CO 0.00 0.51 -0.48 1.88 -0.34 0.00 0.00 178.44 180.02 1xe3 h TYR 186 N 0.40 1.06 -0.07 1.25 -1.99 -1.21 -1.47 116.97 114.95 1xe3 h TYR 186 Ca 0.11 -0.35 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 1xe3 h TYR 186 Cb 0.19 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 1xe3 h TYR 186 CO -0.00 1.17 0.01 1.15 -0.00 0.00 0.00 178.16 180.49 1xe3 h THR 187 N 0.68 1.21 -0.30 -2.88 2.02 -1.28 -2.21 112.91 110.16 1xe3 h THR 187 Ca 0.03 -0.64 -0.15 0.00 0.77 0.00 0.00 66.41 66.42 1xe3 h THR 187 Cb 1.07 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1xe3 h THR 187 CO 0.11 0.18 -0.43 -0.07 0.37 0.00 0.00 175.52 175.68 1xe3 h LEU 188 N -0.12 0.80 -0.35 2.58 3.38 -1.33 -0.28 115.31 119.99 1xe3 h LEU 188 Ca 0.02 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xe3 h LEU 188 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xe3 h LEU 188 CO 0.00 1.12 0.19 0.00 0.09 0.00 0.00 178.44 179.84 1xe3 h ALA 189 N 0.92 0.43 -0.39 1.53 0.00 -1.29 -1.27 119.26 119.18 1xe3 h ALA 189 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xe3 h ALA 189 Cb 0.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xe3 h ALA 189 CO 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.10 1xe3 h ALA 190 N 1.16 0.54 -0.75 0.00 0.00 -1.28 0.77 119.26 119.71 1xe3 h ALA 190 Ca 0.14 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1xe3 h ALA 190 Cb 0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 1xe3 h ALA 190 CO -0.08 0.39 0.25 -0.22 0.00 0.00 0.00 179.25 179.59 1xe3 h LYS 191 N 0.56 0.35 -0.25 0.00 3.64 -0.83 -2.60 116.57 117.43 1xe3 h LYS 191 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xe3 h LYS 191 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1xe3 h LYS 191 CO 0.03 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 1xe3 n TYR 192 N -5.07 0.32 -2.20 1.91 4.01 -0.50 -4.95 117.16 110.67 1xe3 n TYR 192 Ca 0.14 -0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1xe3 n TYR 192 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.30 0.13 2.88 2.72 0.00 -0.26 -5.03 105.19 106.92 1xe3 n GLY 193 Ca 0.17 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.94 0.00 -4.35 1.61 0.24 0.10 -5.01 118.33 106.99 1xe3 n VAL 194 Ca -0.07 -1.91 -0.34 0.00 -2.04 0.00 0.00 64.34 59.98 1xe3 n VAL 194 Cb 0.56 0.42 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.20 4.08 0.06 -1.34 0.02 -0.09 -4.24 114.94 110.24 1xe3 s ASN 195 Ca 0.02 -0.37 0.04 0.00 -1.02 0.00 0.00 52.86 51.53 1xe3 s ASN 195 Cb 0.00 -1.66 -0.03 0.00 0.02 0.00 0.00 41.25 39.59 1xe3 s ASN 195 CO 0.01 0.08 -0.13 0.00 0.02 0.00 0.00 177.10 177.08 1xe3 s ALA 196 N 0.89 1.03 0.03 0.60 0.00 -1.26 0.08 121.76 123.13 1xe3 s ALA 196 Ca -0.02 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1xe3 s ALA 196 Cb -0.15 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1xe3 s ALA 196 CO 0.00 0.12 0.38 -1.17 0.00 0.00 0.00 175.76 175.09 1xe3 s LEU 197 N -1.72 0.53 -0.11 0.00 2.96 -0.68 -1.32 118.68 118.34 1xe3 s LEU 197 Ca -0.04 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1xe3 s LEU 197 Cb -0.10 1.62 0.01 0.00 0.50 0.00 0.00 46.19 48.22 1xe3 s LEU 197 CO 0.02 -0.63 -0.16 -0.44 -1.32 0.00 0.00 176.35 173.82 1xe3 s SER 198 N -1.91 2.53 -0.12 3.68 0.01 -1.26 -0.65 113.70 115.97 1xe3 s SER 198 Ca -0.06 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1xe3 s SER 198 Cb -0.01 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1xe3 s SER 198 CO -0.01 0.02 -0.18 -0.69 0.41 0.00 0.00 173.24 172.79 1xe3 s VAL 199 N 0.97 1.72 -0.03 3.43 1.01 0.01 -2.43 120.40 125.08 1xe3 s VAL 199 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1xe3 s VAL 199 Cb -0.15 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1xe3 s VAL 199 CO -0.02 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.75 1xe3 s LEU 200 N 0.91 1.60 -0.13 3.92 1.43 0.38 -2.81 118.68 123.98 1xe3 s LEU 200 Ca -0.07 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1xe3 s LEU 200 Cb -0.15 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1xe3 s LEU 200 CO -0.01 0.01 0.39 -0.89 0.23 0.00 0.00 176.35 176.07 1xe3 s THR 201 N 0.50 5.23 -0.20 5.49 2.01 0.60 0.70 115.64 129.97 1xe3 s THR 201 Ca -0.07 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1xe3 s THR 201 Cb -0.11 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1xe3 s THR 201 CO 0.00 0.37 1.48 -0.69 -0.69 0.00 0.00 174.62 175.10 1xe3 s VAL 202 N 0.43 3.89 -0.09 3.82 1.01 0.19 -0.91 120.40 128.75 1xe3 s VAL 202 Ca 0.22 1.03 0.14 0.00 0.00 0.00 0.00 61.98 63.37 1xe3 s VAL 202 Cb -0.14 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.18 1xe3 s VAL 202 CO 0.08 -0.27 0.50 -1.54 0.00 0.00 0.00 175.10 173.86 1xe3 n SER 203 N 7.73 0.62 -3.84 3.32 3.41 -0.03 -0.21 113.62 124.60 1xe3 n SER 203 Ca 0.17 0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1xe3 n SER 203 Cb 0.45 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 1xe3 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xe3 s ASP 204 N -5.89 -0.19 -0.18 4.04 1.47 -1.24 -1.95 116.67 112.74 1xe3 s ASP 204 Ca -0.06 -0.65 -0.02 0.00 1.18 0.00 0.00 52.55 53.00 1xe3 s ASP 204 Cb 0.07 0.59 -0.01 0.00 -0.34 0.00 0.00 42.92 43.24 1xe3 s ASP 204 CO 0.83 -1.11 -0.10 -2.28 0.68 0.00 0.00 175.17 173.19 1xe3 s HIS 205 N -3.93 2.88 0.31 2.11 2.46 0.15 -0.40 115.29 118.87 1xe3 s HIS 205 Ca 0.14 -0.91 0.02 0.00 0.47 0.00 0.00 55.06 54.78 1xe3 s HIS 205 Cb -0.01 -1.98 0.49 0.00 -0.13 0.00 0.00 32.58 30.95 1xe3 s HIS 205 CO 0.02 -0.44 1.82 0.82 -2.47 0.00 0.00 174.74 174.48 1xe3 h ILE 206 N 5.61 1.22 0.00 0.89 1.08 -0.76 -1.65 117.51 123.90 1xe3 h ILE 206 Ca -0.36 -0.93 -0.36 0.00 -0.39 0.00 0.00 64.86 62.82 1xe3 h ILE 206 Cb 1.18 0.99 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 1xe3 h ILE 206 CO 0.59 0.32 -2.36 0.49 -0.69 0.00 0.00 178.15 176.50 1xe3 n PHE 207 N -4.23 0.00 0.17 1.37 3.72 -1.26 -4.36 117.46 112.87 1xe3 n PHE 207 Ca 0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1xe3 n PHE 207 Cb 0.29 -0.93 0.23 0.00 -0.94 0.00 0.00 39.48 38.13 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 0.00 0.82 0.00 4.37 1.35 -1.93 -3.47 112.91 114.05 1xe3 h THR 208 Ca -0.53 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1xe3 h THR 208 Cb 1.88 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1xe3 h THR 208 CO -0.07 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1xe3 n GLY 209 N 0.61 0.91 3.75 5.82 0.00 -0.62 -5.02 105.19 110.64 1xe3 n GLY 209 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xe3 n GLY 209 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xe3 n GLU 210 N -2.11 2.68 -4.41 1.61 -0.58 -1.25 -4.77 120.64 111.80 1xe3 n GLU 210 Ca 0.00 0.95 -0.21 0.00 -0.42 0.00 0.00 57.16 57.49 1xe3 n GLU 210 Cb 0.00 -2.72 -0.10 0.00 -0.57 0.00 0.00 31.44 28.04 1xe3 n GLU 210 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1xe3 s GLU 211 N -0.71 1.52 -0.05 3.49 2.02 -1.26 -0.67 118.70 123.04 1xe3 s GLU 211 Ca 0.63 -1.78 -0.06 0.00 0.02 0.00 0.00 54.97 53.78 1xe3 s GLU 211 Cb -0.50 -1.04 0.01 0.00 0.10 0.00 0.00 34.13 32.70 1xe3 s GLU 211 CO 0.51 -0.00 0.15 -0.08 0.02 0.00 0.00 175.26 175.85 1xe3 s THR 212 N -3.10 0.02 0.60 3.63 -1.32 -0.82 -4.95 115.64 109.70 1xe3 s THR 212 Ca 0.30 -0.14 -0.14 0.00 -1.21 0.00 0.00 61.69 60.50 1xe3 s THR 212 Cb 0.05 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1xe3 s THR 212 CO 0.12 -0.08 1.04 -0.89 -2.21 0.00 0.00 174.62 172.59 1xe3 s THR 213 N -0.22 4.20 0.27 5.08 2.01 -1.26 -4.94 115.64 120.78 1xe3 s THR 213 Ca -0.03 0.90 0.06 0.00 0.31 0.00 0.00 61.69 62.93 1xe3 s THR 213 Cb -0.02 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1xe3 s THR 213 CO 0.00 -0.75 1.63 0.77 -0.69 0.00 0.00 174.62 175.58 1xe3 h SER 214 N 0.13 0.23 -0.23 3.53 4.64 -1.99 -2.22 113.55 117.64 1xe3 h SER 214 Ca -0.46 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 60.80 1xe3 h SER 214 Cb 1.20 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1xe3 h SER 214 CO 0.59 0.71 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.81 1xe3 h GLU 215 N 0.17 -0.09 0.00 4.77 5.08 -2.00 -2.45 114.58 120.05 1xe3 h GLU 215 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xe3 h GLU 215 Cb 0.97 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xe3 h GLU 215 CO 0.08 -0.06 -0.02 0.93 -1.00 0.00 0.00 179.01 178.94 1xe3 h GLU 216 N -0.09 0.00 0.00 2.33 5.08 -1.89 -2.28 114.58 117.72 1xe3 h GLU 216 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xe3 h GLU 216 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xe3 h GLU 216 CO -0.29 0.02 -0.42 0.54 -1.00 0.00 0.00 179.01 177.85 1xe3 n ARG 217 N -4.16 0.26 -0.17 2.33 1.74 -0.86 -4.67 116.66 111.15 1xe3 n ARG 217 Ca -0.03 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1xe3 n ARG 217 Cb 0.10 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 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 0.00 0.84 -0.59 5.56 5.75 -0.92 0.22 115.11 125.98 1xe3 h GLN 218 Ca 0.00 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1xe3 h GLN 218 Cb 0.73 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1xe3 h GLN 218 CO 0.00 0.88 0.27 1.79 -2.65 0.00 0.00 178.83 179.12 1xe3 h THR 219 N 0.70 1.20 -0.06 2.39 1.35 -1.83 0.56 112.91 117.22 1xe3 h THR 219 Ca 0.14 -0.59 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 1xe3 h THR 219 Cb 0.50 0.46 0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1xe3 h THR 219 CO 0.02 0.24 -0.36 0.74 -0.25 0.00 0.00 175.52 175.92 1xe3 h THR 220 N 0.83 1.43 -0.84 6.82 2.02 -1.74 -2.80 112.91 118.63 1xe3 h THR 220 Ca 0.20 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1xe3 h THR 220 Cb 0.11 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1xe3 h THR 220 CO -0.02 0.51 0.53 0.15 0.37 0.00 0.00 175.52 177.06 1xe3 h PHE 221 N -0.15 1.08 -0.98 3.16 3.57 -0.45 -1.06 116.94 122.11 1xe3 h PHE 221 Ca -0.03 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xe3 h PHE 221 Cb 1.02 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1xe3 h PHE 221 CO 0.13 0.70 0.65 -0.91 -2.23 0.00 0.00 178.31 176.66 1xe3 h ASN 222 N 1.15 1.11 -0.31 0.41 2.35 -0.90 -0.50 115.58 118.89 1xe3 h ASN 222 Ca 0.30 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 1xe3 h ASN 222 Cb -0.09 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.01 1xe3 h ASN 222 CO -0.06 0.80 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.86 1xe3 h GLU 223 N 1.31 0.76 -0.96 0.81 4.39 -1.24 -2.83 114.58 116.82 1xe3 h GLU 223 Ca 0.37 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.71 1xe3 h GLU 223 Cb -0.12 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 1xe3 h GLU 223 CO -0.09 1.03 0.63 1.98 -1.16 0.00 0.00 179.01 181.40 1xe3 h MET 224 N 0.52 1.13 -0.14 2.33 4.05 -0.64 -1.44 114.93 120.75 1xe3 h MET 224 Ca 0.05 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1xe3 h MET 224 Cb 0.90 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1xe3 h MET 224 CO 0.08 0.75 0.07 0.82 0.23 0.00 0.00 176.91 178.85 1xe3 h ILE 225 N 1.16 1.11 -0.60 1.77 2.04 -1.05 -2.24 117.51 119.70 1xe3 h ILE 225 Ca 0.40 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1xe3 h ILE 225 Cb 0.10 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1xe3 h ILE 225 CO -0.14 0.10 0.39 -0.08 0.00 0.00 0.00 178.15 178.42 1xe3 h GLU 226 N 0.11 0.78 -0.03 2.37 4.81 -1.17 -0.29 114.58 121.15 1xe3 h GLU 226 Ca 0.05 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1xe3 h GLU 226 Cb 0.10 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xe3 h GLU 226 CO -0.01 0.52 -0.39 -0.84 -0.73 0.00 0.00 179.01 177.55 1xe3 h ILE 227 N 0.80 1.29 -0.27 2.32 -0.00 -1.21 0.61 117.51 121.06 1xe3 h ILE 227 Ca 0.22 -1.39 -0.16 0.00 -0.00 0.00 0.00 64.86 63.53 1xe3 h ILE 227 Cb -0.08 1.71 -0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1xe3 h ILE 227 CO -0.05 0.40 -0.46 0.00 -0.00 0.00 0.00 178.15 178.04 1xe3 h ALA 228 N 1.55 0.42 -0.02 0.16 0.00 -0.98 0.43 119.26 120.82 1xe3 h ALA 228 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xe3 h ALA 228 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xe3 h ALA 228 CO 0.05 0.57 0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1xe3 h LEU 229 N 0.53 0.02 -0.44 0.00 3.38 -0.85 -1.15 115.31 116.81 1xe3 h LEU 229 Ca 0.02 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1xe3 h LEU 229 Cb 1.06 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 1xe3 h LEU 229 CO 0.10 0.12 0.02 0.44 0.09 0.00 0.00 178.44 179.22 1xe3 h ASP 230 N -0.07 -0.14 0.08 -0.43 3.45 -0.85 -1.81 116.42 116.65 1xe3 h ASP 230 Ca 0.01 0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.48 1xe3 h ASP 230 Cb 0.10 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1xe3 h ASP 230 CO -0.00 -0.04 -0.27 0.00 -1.57 0.00 0.00 179.24 177.37 1xe3 h ALA 231 N 1.38 1.25 -0.05 3.45 0.00 -0.82 -2.93 119.26 121.54 1xe3 h ALA 231 Ca 0.22 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1xe3 h ALA 231 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xe3 h ALA 231 CO -0.35 0.50 -0.83 0.00 0.00 0.00 0.00 179.25 178.58 1xe3 h ALA 232 N 1.45 0.48 0.00 0.00 0.00 -0.62 -3.32 119.26 117.25 1xe3 h ALA 232 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xe3 h ALA 232 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xe3 h ALA 232 CO 0.04 0.78 -0.60 -0.84 0.00 0.00 0.00 179.25 178.63 1xe3 h ILE 233 N 0.27 0.00 0.00 0.00 3.07 -1.33 -3.45 117.51 116.07 1xe3 h ILE 233 Ca -0.05 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.70 1xe3 h ILE 233 Cb 1.43 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 1xe3 h ILE 233 CO 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.24