#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 2.60 0.30 7.83 1.04 -1.16 -5.00 113.70 119.31 1xe3 s SER 2 Ca 0.00 0.19 0.16 0.00 0.48 0.00 0.00 55.95 56.78 1xe3 s SER 2 Cb 0.00 -0.15 0.12 0.00 0.10 0.00 0.00 66.02 66.09 1xe3 s SER 2 CO 0.00 -3.05 1.47 1.62 0.98 0.00 0.00 173.24 174.26 1xe3 h VAL 3 N -1.86 0.76 -0.03 5.02 3.04 -1.99 -3.31 116.25 117.88 1xe3 h VAL 3 Ca -0.44 -2.05 0.00 0.00 -1.01 0.00 0.00 66.70 63.20 1xe3 h VAL 3 Cb 1.22 2.36 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 1xe3 h VAL 3 CO 0.31 0.43 0.00 1.41 -1.01 0.00 0.00 177.57 178.71 1xe3 n HIS 4 N -3.22 0.04 -4.18 3.17 -0.00 -1.26 -4.95 115.22 104.82 1xe3 n HIS 4 Ca 0.02 -0.10 -0.23 0.00 -0.00 0.00 0.00 57.72 57.41 1xe3 n HIS 4 Cb 0.70 -0.01 -0.17 0.00 -0.00 0.00 0.00 29.99 30.52 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 -0.48 0.80 -0.35 1.59 1.01 -1.25 -4.69 121.20 117.84 1xe3 s ILE 5 Ca 0.06 -0.23 0.12 0.00 0.00 0.00 0.00 60.65 60.60 1xe3 s ILE 5 Cb 0.04 -0.80 0.72 0.00 0.01 0.00 0.00 42.46 42.42 1xe3 s ILE 5 CO 0.05 0.30 1.59 -1.84 0.00 0.00 0.00 174.94 175.04 1xe3 n GLU 6 N 4.32 4.41 -2.38 2.79 0.28 -1.26 -2.96 120.64 125.84 1xe3 n GLU 6 Ca -0.19 -2.75 -0.33 0.00 -0.16 0.00 0.00 57.16 53.73 1xe3 n GLU 6 Cb 0.51 -2.17 -0.02 0.00 1.43 0.00 0.00 31.44 31.18 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 -2.54 2.89 0.54 -1.84 0.00 -1.24 -4.92 121.76 114.65 1xe3 s ALA 7 Ca 0.48 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 1xe3 s ALA 7 Cb 0.36 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 1xe3 s ALA 7 CO 0.14 -0.41 1.04 0.15 0.00 0.00 0.00 175.76 176.68 1xe3 s LYS 8 N -3.68 3.61 0.31 0.00 1.02 -1.26 -4.32 119.74 115.42 1xe3 s LYS 8 Ca 0.64 1.24 -0.29 0.00 0.02 0.00 0.00 55.97 57.58 1xe3 s LYS 8 Cb -0.14 -2.07 -0.13 0.00 -0.52 0.00 0.00 37.83 34.97 1xe3 s LYS 8 CO 0.27 -0.57 1.34 1.04 -0.92 0.00 0.00 175.35 176.51 1xe3 n GLN 9 N -1.50 2.14 0.00 1.68 1.13 -1.26 -2.26 117.38 117.31 1xe3 n GLN 9 Ca 0.09 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.90 1xe3 n GLN 9 Cb 0.53 -2.37 0.00 0.00 0.11 0.00 0.00 30.24 28.51 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 1.21 3.17 0.23 1.08 0.00 -1.26 -4.90 105.19 104.72 1xe3 n GLY 10 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 1.90 0.00 -5.40 1.61 5.08 -1.84 -3.43 114.58 112.49 1xe3 h GLU 11 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1xe3 h GLU 11 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1xe3 h GLU 11 CO 0.00 0.00 -0.57 0.42 -1.00 0.00 0.00 179.01 177.86 1xe3 s ILE 12 N -3.38 4.77 0.68 3.13 1.01 -1.26 -4.68 121.20 121.47 1xe3 s ILE 12 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1xe3 s ILE 12 Cb 0.07 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1xe3 s ILE 12 CO 0.61 0.50 1.07 0.00 0.00 0.00 0.00 174.94 177.11 1xe3 s ALA 13 N 0.07 2.62 0.27 9.38 0.00 -1.26 -4.95 121.76 127.89 1xe3 s ALA 13 Ca 0.05 0.21 0.36 0.00 0.00 0.00 0.00 51.96 52.58 1xe3 s ALA 13 Cb -0.12 -3.21 1.63 0.00 0.00 0.00 0.00 23.12 21.42 1xe3 s ALA 13 CO 0.01 -1.21 2.09 0.93 0.00 0.00 0.00 175.76 177.57 1xe3 h GLU 14 N -0.47 0.00 -5.48 0.00 5.08 -1.87 -3.42 114.58 108.42 1xe3 h GLU 14 Ca -0.45 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.26 1xe3 h GLU 14 Cb 1.22 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.22 1xe3 h GLU 14 CO 0.56 0.02 -0.75 -1.12 -1.00 0.00 0.00 179.01 176.72 1xe3 s SER 15 N -5.61 4.16 -0.06 1.42 0.01 -1.26 -0.08 113.70 112.28 1xe3 s SER 15 Ca -0.01 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1xe3 s SER 15 Cb 0.10 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.83 1xe3 s SER 15 CO 0.52 0.20 0.17 -0.51 0.41 0.00 0.00 173.24 174.03 1xe3 s ILE 16 N 0.16 0.01 0.03 1.44 2.07 0.24 -1.87 121.20 123.28 1xe3 s ILE 16 Ca -0.06 -0.10 -0.08 0.00 -1.41 0.00 0.00 60.65 59.00 1xe3 s ILE 16 Cb -0.15 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.11 1xe3 s ILE 16 CO 0.04 -0.06 0.31 -0.76 -1.91 0.00 0.00 174.94 172.57 1xe3 s LEU 17 N -0.13 4.37 -0.59 8.50 1.43 -0.46 -1.08 118.68 130.72 1xe3 s LEU 17 Ca -0.02 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1xe3 s LEU 17 Cb -0.02 -2.75 0.20 0.00 0.03 0.00 0.00 46.19 43.65 1xe3 s LEU 17 CO 0.00 0.24 0.52 0.18 0.23 0.00 0.00 176.35 177.52 1xe3 n LEU 18 N 1.10 2.05 -4.82 1.79 4.77 0.44 -1.05 117.00 121.27 1xe3 n LEU 18 Ca -0.11 -5.01 -0.31 0.00 -0.03 0.00 0.00 56.01 50.55 1xe3 n LEU 18 Cb 0.53 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1xe3 n LEU 18 CO 0.41 1.88 0.71 -2.16 -1.33 0.00 0.00 177.39 176.91 1xe3 s PRO 19 N -1.31 3.08 0.02 3.23 0.04 -1.22 -3.01 135.00 135.83 1xe3 s PRO 19 Ca 0.31 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 1xe3 s PRO 19 Cb 0.04 -2.01 -0.21 0.00 0.04 0.00 0.00 34.50 32.37 1xe3 s PRO 19 CO -0.14 -0.99 1.17 0.78 0.04 0.00 0.00 177.00 177.87 1xe3 h GLY 20 N -0.50 0.51 -5.18 0.56 0.00 -1.81 -1.55 103.07 95.10 1xe3 h GLY 20 Ca -0.44 -0.78 -0.57 0.00 0.00 0.00 0.00 47.33 45.53 1xe3 h GLY 20 CO 0.58 0.70 0.44 -0.35 0.00 0.00 0.00 176.54 177.90 1xe3 s ASP 21 N -6.69 7.04 0.55 0.19 2.15 -1.26 -1.40 116.67 117.25 1xe3 s ASP 21 Ca -0.13 1.28 0.23 0.00 0.43 0.00 0.00 52.55 54.36 1xe3 s ASP 21 Cb 0.04 -2.48 1.53 0.00 -0.30 0.00 0.00 42.92 41.71 1xe3 s ASP 21 CO 0.82 -0.41 2.19 1.55 -0.17 0.00 0.00 175.17 179.15 1xe3 h PRO 22 N 7.25 0.00 0.00 4.34 0.13 -1.88 -2.10 132.00 139.74 1xe3 h PRO 22 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1xe3 h PRO 22 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xe3 h PRO 22 CO 0.85 0.02 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.37 1xe3 h LEU 23 N 0.00 0.00 -0.09 1.56 3.38 -1.92 -2.00 115.31 116.23 1xe3 h LEU 23 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1xe3 h LEU 23 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xe3 h LEU 23 CO 0.00 0.19 -1.03 -0.09 0.09 0.00 0.00 178.44 177.60 1xe3 h ARG 24 N 0.00 0.24 -0.76 1.13 9.65 -1.85 -2.02 114.38 120.77 1xe3 h ARG 24 Ca -0.00 -0.32 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 1xe3 h ARG 24 Cb 1.15 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.80 1xe3 h ARG 24 CO 0.02 1.08 0.39 0.00 2.80 0.00 0.00 179.97 184.26 1xe3 h ALA 25 N 0.80 0.98 -0.22 2.80 0.00 -1.26 -0.78 119.26 121.58 1xe3 h ALA 25 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xe3 h ALA 25 Cb 1.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1xe3 h ALA 25 CO 0.16 0.52 0.14 -0.22 0.00 0.00 0.00 179.25 179.85 1xe3 h LYS 26 N 1.06 0.28 -0.43 0.00 3.64 -1.36 -1.07 116.57 118.68 1xe3 h LYS 26 Ca 0.26 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1xe3 h LYS 26 Cb 0.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1xe3 h LYS 26 CO -0.04 0.18 0.25 -0.92 -2.27 0.00 0.00 179.45 176.66 1xe3 h TYR 27 N 0.28 0.58 0.24 1.91 3.20 -1.24 -1.36 116.97 120.57 1xe3 h TYR 27 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1xe3 h TYR 27 Cb -0.02 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1xe3 h TYR 27 CO -0.07 0.42 -0.13 0.82 -1.64 0.00 0.00 178.16 177.56 1xe3 h ILE 28 N 0.57 0.73 -0.76 1.81 2.04 -0.96 0.15 117.51 121.09 1xe3 h ILE 28 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1xe3 h ILE 28 Cb 0.01 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1xe3 h ILE 28 CO -0.03 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.58 1xe3 h ALA 29 N 0.42 1.03 -0.07 1.87 0.00 -1.07 0.80 119.26 122.24 1xe3 h ALA 29 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1xe3 h ALA 29 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xe3 h ALA 29 CO 0.04 0.18 -0.61 0.93 0.00 0.00 0.00 179.25 179.79 1xe3 h GLU 30 N 0.84 0.26 0.06 0.00 5.08 -1.09 -1.45 114.58 118.28 1xe3 h GLU 30 Ca 0.33 -0.18 -0.30 0.00 -1.00 0.00 0.00 59.36 58.22 1xe3 h GLU 30 Cb 0.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1xe3 h GLU 30 CO -0.17 0.79 -1.60 1.15 -1.00 0.00 0.00 179.01 178.18 1xe3 h THR 31 N 0.19 1.03 0.00 1.13 2.02 -0.57 -3.41 112.91 113.30 1xe3 h THR 31 Ca -0.01 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.40 1xe3 h THR 31 Cb 1.12 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1xe3 h THR 31 CO 0.10 0.72 -1.18 0.49 0.37 0.00 0.00 175.52 176.02 1xe3 n PHE 32 N -3.28 0.00 -4.43 3.16 3.72 0.24 -5.05 117.46 111.81 1xe3 n PHE 32 Ca -0.17 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.93 1xe3 n PHE 32 Cb 1.03 -0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 39.32 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 -3.32 2.82 0.29 4.37 1.02 -0.55 -4.76 118.68 118.56 1xe3 s LEU 33 Ca -0.02 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.78 1xe3 s LEU 33 Cb 0.05 -1.65 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 1xe3 s LEU 33 CO 0.30 0.22 0.39 -1.61 0.02 0.00 0.00 176.35 175.67 1xe3 s GLU 34 N -1.81 3.18 -1.35 1.70 0.41 -0.61 -4.74 118.70 115.48 1xe3 s GLU 34 Ca 0.18 -0.95 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 1xe3 s GLU 34 Cb -0.11 -2.79 -0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1xe3 s GLU 34 CO 0.09 0.22 0.54 -0.25 -0.49 0.00 0.00 175.26 175.37 1xe3 n ASP 35 N -1.49 -0.89 -4.81 -0.19 8.00 -1.26 -0.28 116.55 115.62 1xe3 n ASP 35 Ca -0.04 -0.94 -0.38 0.00 0.71 0.00 0.00 54.79 54.14 1xe3 n ASP 35 Cb 0.58 -3.44 -0.06 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.83 5.00 -0.05 2.53 0.11 -1.26 -4.43 120.40 118.47 1xe3 s VAL 36 Ca 0.03 0.93 0.06 0.00 -2.93 0.00 0.00 61.98 60.07 1xe3 s VAL 36 Cb -0.01 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1xe3 s VAL 36 CO 0.86 0.53 -0.22 -0.89 -3.33 0.00 0.00 175.10 172.05 1xe3 s THR 37 N -0.79 1.82 -0.40 5.04 2.01 0.20 -4.99 115.64 118.53 1xe3 s THR 37 Ca 0.25 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 1xe3 s THR 37 Cb -0.17 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.81 1xe3 s THR 37 CO 0.14 0.51 0.77 0.00 -0.69 0.00 0.00 174.62 175.35 1xe3 n TYR 39 N 6.49 0.00 -3.80 0.00 0.18 -0.30 -4.93 117.16 114.80 1xe3 n TYR 39 Ca 0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.67 1xe3 n TYR 39 Cb 0.48 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.30 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 -2.93 -0.07 0.00 9.48 2.47 -1.22 -3.67 114.94 119.00 1xe3 s ASN 40 Ca 0.09 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.56 1xe3 s ASN 40 Cb 0.16 0.14 0.00 0.00 -1.45 0.00 0.00 41.25 40.10 1xe3 s ASN 40 CO 0.83 -0.08 0.68 -3.20 -3.72 0.00 0.00 177.10 171.61 1xe3 n ASN 41 N 3.58 1.05 -4.73 -4.21 2.85 -1.26 -3.35 115.26 109.18 1xe3 n ASN 41 Ca -0.19 -1.46 -0.42 0.00 -0.11 0.00 0.00 54.58 52.40 1xe3 n ASN 41 Cb 0.56 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.55 1xe3 n ASN 41 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xe3 s VAL 42 N -0.46 2.12 -1.99 3.44 1.01 -1.26 -0.75 120.40 122.52 1xe3 s VAL 42 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1xe3 s VAL 42 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1xe3 s VAL 42 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 175.10 175.65 1xe3 n ARG 43 N 3.30 -1.45 -1.69 2.72 1.74 -1.26 -0.16 116.66 119.86 1xe3 n ARG 43 Ca 0.13 1.11 -0.15 0.00 -0.77 0.00 0.00 57.85 58.17 1xe3 n ARG 43 Cb 0.36 -5.48 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 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 -0.40 0.91 3.29 -0.13 0.00 0.08 -4.89 105.19 104.04 1xe3 n GLY 44 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.21 3.45 -1.69 1.61 0.00 0.77 -4.84 117.12 114.21 1xe3 n MET 45 Ca -0.15 -3.76 -0.44 0.00 0.00 0.00 0.00 57.70 53.34 1xe3 n MET 45 Cb 0.52 -3.00 -0.02 0.00 0.00 0.00 0.00 33.22 30.72 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 5.09 3.40 -4.04 -0.89 4.77 -1.26 -4.66 117.00 119.40 1xe3 n LEU 46 Ca 0.38 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 57.32 1xe3 n LEU 46 Cb 0.41 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.89 1xe3 n LEU 46 CO 0.68 -0.34 -0.43 -0.83 -1.33 0.00 0.00 177.39 175.14 1xe3 s GLY 47 N 0.33 0.50 0.06 -0.72 0.00 -1.21 -1.89 107.32 104.38 1xe3 s GLY 47 Ca 0.67 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.93 1xe3 s GLY 47 CO 0.49 -0.46 -0.12 -1.36 0.00 0.00 0.00 173.10 171.65 1xe3 s PHE 48 N -0.47 1.05 -0.04 1.90 0.40 0.59 -1.15 117.98 120.27 1xe3 s PHE 48 Ca 0.01 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1xe3 s PHE 48 Cb -0.05 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1xe3 s PHE 48 CO 0.00 0.01 -0.17 0.99 0.70 0.00 0.00 175.22 176.75 1xe3 s THR 49 N -1.24 1.43 0.03 0.64 2.01 -0.43 -0.37 115.64 117.72 1xe3 s THR 49 Ca -0.04 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xe3 s THR 49 Cb -0.10 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1xe3 s THR 49 CO 0.02 0.41 0.06 0.61 -0.69 0.00 0.00 174.62 175.02 1xe3 n GLY 50 N 3.06 2.55 3.30 4.40 0.00 -0.41 -0.63 105.19 117.46 1xe3 n GLY 50 Ca -0.17 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.66 2.15 -0.09 2.61 -1.32 0.62 -0.90 115.64 116.04 1xe3 s THR 51 Ca 0.02 -1.05 -0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1xe3 s THR 51 Cb -0.00 -1.77 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 1xe3 s THR 51 CO 0.02 0.57 -0.07 -0.47 -2.21 0.00 0.00 174.62 172.46 1xe3 s TYR 52 N -0.33 1.30 -1.48 9.09 5.04 0.51 -1.58 117.35 129.91 1xe3 s TYR 52 Ca 0.02 -0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1xe3 s TYR 52 Cb -0.12 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.09 1xe3 s TYR 52 CO 0.02 -0.43 0.23 1.63 -1.34 0.00 0.00 175.55 175.66 1xe3 n LYS 53 N 4.74 -2.19 -0.98 4.97 5.02 -1.26 -1.40 118.16 127.06 1xe3 n LYS 53 Ca -0.14 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1xe3 n LYS 53 Cb 0.50 -4.10 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 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 -2.25 0.69 3.22 0.72 0.00 -1.26 -5.00 105.19 101.31 1xe3 n GLY 54 Ca -0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.14 2.59 0.24 1.61 3.01 -0.49 -5.09 119.74 121.47 1xe3 s LYS 55 Ca 0.00 -0.83 -0.30 0.00 -1.01 0.00 0.00 55.97 53.83 1xe3 s LYS 55 Cb 0.00 -2.10 -0.09 0.00 -1.01 0.00 0.00 37.83 34.63 1xe3 s LYS 55 CO 0.00 0.27 1.24 1.03 0.51 0.00 0.00 175.35 178.40 1xe3 s ARG 56 N 0.10 4.45 -0.06 1.68 1.81 -1.26 -0.36 118.95 125.31 1xe3 s ARG 56 Ca -0.10 2.00 -0.22 0.00 -1.72 0.00 0.00 55.73 55.69 1xe3 s ARG 56 Cb -0.15 -3.18 0.05 0.00 -0.45 0.00 0.00 34.95 31.22 1xe3 s ARG 56 CO 0.05 -0.11 0.50 0.54 -0.68 0.00 0.00 175.30 175.60 1xe3 s VAL 57 N -0.45 0.02 0.29 3.52 0.11 -0.07 -4.78 120.40 119.05 1xe3 s VAL 57 Ca 0.52 -0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.46 1xe3 s VAL 57 Cb -0.35 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1xe3 s VAL 57 CO 0.42 -0.11 0.02 -0.44 -3.33 0.00 0.00 175.10 171.66 1xe3 s SER 58 N -0.97 4.53 -0.03 3.54 0.01 -0.78 -1.28 113.70 118.71 1xe3 s SER 58 Ca -0.10 -0.71 -0.00 0.00 1.31 0.00 0.00 55.95 56.45 1xe3 s SER 58 Cb -0.03 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.44 1xe3 s SER 58 CO 0.06 -0.08 0.02 -0.69 0.41 0.00 0.00 173.24 172.96 1xe3 s VAL 59 N -2.37 0.06 -0.04 3.43 1.01 0.50 -1.35 120.40 121.64 1xe3 s VAL 59 Ca 0.33 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1xe3 s VAL 59 Cb -0.05 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1xe3 s VAL 59 CO 0.20 0.13 0.06 -1.58 0.00 0.00 0.00 175.10 173.91 1xe3 s GLN 60 N 1.17 -0.07 0.33 2.72 2.00 -0.22 -0.30 119.66 125.29 1xe3 s GLN 60 Ca -0.08 0.36 -0.29 0.00 -2.00 0.00 0.00 55.36 53.36 1xe3 s GLN 60 Cb -0.13 -0.48 -0.11 0.00 0.80 0.00 0.00 33.01 33.08 1xe3 s GLN 60 CO -0.02 -0.31 1.55 0.41 -0.50 0.00 0.00 175.29 176.41 1xe3 n GLY 61 N 5.19 1.29 0.05 2.59 0.00 -0.79 -3.43 105.19 110.09 1xe3 n GLY 61 Ca -0.05 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 1.40 0.00 -4.71 2.61 -2.24 -0.58 -4.83 114.28 105.93 1xe3 n THR 62 Ca 0.05 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1xe3 n THR 62 Cb 0.38 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.06 -0.84 3.45 3.38 0.00 -0.50 -3.15 105.19 108.59 1xe3 n GLY 63 Ca 0.02 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 3.56 0.00 1.61 -1.94 -1.26 -4.59 119.30 116.68 1xe3 s MET 64 Ca 0.00 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 1xe3 s MET 64 Cb 0.00 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1xe3 s MET 64 CO 0.00 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.62 1xe3 n GLY 65 N 3.63 2.29 0.32 -0.03 0.00 -1.25 -4.44 105.19 105.71 1xe3 n GLY 65 Ca -0.18 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 0.15 -0.19 1.61 2.07 -1.68 -2.28 116.25 115.92 1xe3 h VAL 66 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1xe3 h VAL 66 Cb 0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1xe3 h VAL 66 CO 0.00 0.00 -0.21 -0.65 0.02 0.00 0.00 177.57 176.73 1xe3 h PRO 67 N -0.02 0.34 0.33 1.57 0.11 -1.91 -1.51 132.00 130.92 1xe3 h PRO 67 Ca 0.38 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1xe3 h PRO 67 Cb 0.61 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1xe3 h PRO 67 CO -0.86 0.54 -0.16 1.03 -0.21 0.00 0.00 178.00 178.34 1xe3 h SER 68 N 0.31 -0.38 -0.78 -2.05 0.87 -1.65 -3.18 113.55 106.68 1xe3 h SER 68 Ca 0.05 -0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.61 1xe3 h SER 68 Cb 0.55 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1xe3 h SER 68 CO 0.04 0.08 0.51 -0.29 -0.53 0.00 0.00 176.83 176.64 1xe3 h ILE 69 N -1.04 0.91 -0.84 2.23 2.10 -1.38 -2.15 117.51 117.34 1xe3 h ILE 69 Ca -0.05 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.64 1xe3 h ILE 69 Cb 0.46 0.19 -0.04 0.00 -1.09 0.00 0.00 36.82 36.35 1xe3 h ILE 69 CO 0.08 0.12 0.43 0.28 -1.08 0.00 0.00 178.15 177.98 1xe3 h SER 70 N 0.66 1.08 0.09 2.19 0.02 -1.37 0.12 113.55 116.34 1xe3 h SER 70 Ca 0.37 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1xe3 h SER 70 Cb 0.53 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1xe3 h SER 70 CO -0.14 0.89 -0.25 0.40 -1.14 0.00 0.00 176.83 176.59 1xe3 h ILE 71 N 1.18 0.43 -0.44 3.27 2.04 -1.37 -1.50 117.51 121.14 1xe3 h ILE 71 Ca 0.29 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.11 1xe3 h ILE 71 Cb 0.08 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xe3 h ILE 71 CO -0.04 0.00 0.13 1.88 0.00 0.00 0.00 178.15 180.12 1xe3 h TYR 72 N -0.44 0.71 -0.53 1.37 -1.99 -1.28 -2.74 116.97 112.06 1xe3 h TYR 72 Ca 0.04 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 1xe3 h TYR 72 Cb 0.48 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 1xe3 h TYR 72 CO -0.25 0.65 0.17 0.28 -0.00 0.00 0.00 178.16 179.01 1xe3 h VAL 73 N 0.57 1.23 -0.48 -2.88 2.07 -0.98 -1.01 116.25 114.77 1xe3 h VAL 73 Ca 0.14 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1xe3 h VAL 73 Cb 0.28 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1xe3 h VAL 73 CO -0.00 0.29 0.15 0.78 0.02 0.00 0.00 177.57 178.81 1xe3 h ASN 74 N 0.74 0.12 -0.13 0.57 4.21 -1.21 -1.60 115.58 118.28 1xe3 h ASN 74 Ca 0.17 0.06 -0.10 0.00 1.21 0.00 0.00 56.30 57.65 1xe3 h ASN 74 Cb 0.28 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1xe3 h ASN 74 CO -0.01 0.10 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.61 1xe3 h GLU 75 N 0.31 0.44 -0.71 0.81 5.08 -1.30 0.77 114.58 119.98 1xe3 h GLU 75 Ca 0.23 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1xe3 h GLU 75 Cb 0.26 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1xe3 h GLU 75 CO -0.26 0.90 0.41 -0.07 -1.00 0.00 0.00 179.01 179.00 1xe3 h LEU 76 N 0.04 0.64 0.35 1.33 3.38 -1.14 0.14 115.31 120.05 1xe3 h LEU 76 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xe3 h LEU 76 Cb 0.90 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1xe3 h LEU 76 CO 0.07 0.42 -0.17 0.40 0.09 0.00 0.00 178.44 179.24 1xe3 h ILE 77 N 0.77 0.43 0.11 1.22 2.04 -1.24 -2.36 117.51 118.47 1xe3 h ILE 77 Ca 0.31 -0.71 -0.27 0.00 1.00 0.00 0.00 64.86 65.19 1xe3 h ILE 77 Cb 0.15 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xe3 h ILE 77 CO -0.17 0.09 -1.19 -0.61 0.00 0.00 0.00 178.15 176.28 1xe3 h GLN 78 N -0.98 0.37 0.00 2.37 5.75 -0.78 -2.79 115.11 119.05 1xe3 h GLN 78 Ca -0.05 -0.54 -0.16 0.00 -0.15 0.00 0.00 58.65 57.75 1xe3 h GLN 78 Cb 0.52 0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 1xe3 h GLN 78 CO 0.08 1.23 -1.66 0.43 -2.65 0.00 0.00 178.83 176.26 1xe3 n SER 79 N -3.63 0.56 -0.01 -0.69 7.64 0.47 -4.65 113.62 113.31 1xe3 n SER 79 Ca -0.09 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1xe3 n SER 79 Cb 0.98 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 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 -2.74 0.00 -1.48 1.43 4.01 -0.95 -4.91 117.16 112.52 1xe3 n TYR 80 Ca -0.12 -0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 1xe3 n TYR 80 Cb 0.83 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.83 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 -0.02 0.77 3.76 2.72 0.00 -0.93 -4.89 105.19 106.60 1xe3 n GLY 81 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.34 3.36 -0.02 1.61 1.01 -0.97 -4.81 120.40 118.25 1xe3 s VAL 82 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1xe3 s VAL 82 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1xe3 s VAL 82 CO 0.00 0.32 -0.01 0.29 0.00 0.00 0.00 175.10 175.70 1xe3 n LYS 83 N 1.10 1.66 -4.32 2.72 4.76 0.89 -4.62 118.16 120.36 1xe3 n LYS 83 Ca -0.01 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1xe3 n LYS 83 Cb 0.44 -1.05 -0.16 0.00 -1.84 0.00 0.00 35.03 32.41 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 -3.82 2.75 -0.13 4.39 0.01 -0.17 -1.28 114.94 116.70 1xe3 s ASN 84 Ca -0.02 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1xe3 s ASN 84 Cb 0.01 -1.24 0.02 0.00 0.41 0.00 0.00 41.25 40.45 1xe3 s ASN 84 CO 0.07 0.00 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.79 1xe3 s LEU 85 N 1.15 1.51 -0.18 0.60 1.02 0.41 -0.59 118.68 122.60 1xe3 s LEU 85 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1xe3 s LEU 85 Cb -0.14 -1.04 0.04 0.00 0.02 0.00 0.00 46.19 45.06 1xe3 s LEU 85 CO -0.06 -0.07 -0.11 -0.63 0.02 0.00 0.00 176.35 175.50 1xe3 s ILE 86 N 1.50 1.53 0.12 -0.59 1.01 -0.24 -1.64 121.20 122.89 1xe3 s ILE 86 Ca 0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 1xe3 s ILE 86 Cb -0.13 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.71 1xe3 s ILE 86 CO -0.09 0.25 1.01 -0.60 0.00 0.00 0.00 174.94 175.52 1xe3 s ARG 87 N 1.46 4.65 0.09 2.79 6.06 0.60 -0.42 118.95 134.18 1xe3 s ARG 87 Ca 0.01 1.54 0.07 0.00 -2.50 0.00 0.00 55.73 54.85 1xe3 s ARG 87 Cb -0.15 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.47 1xe3 s ARG 87 CO -0.09 0.13 -0.18 0.14 -2.50 0.00 0.00 175.30 172.80 1xe3 s VAL 88 N 0.07 1.49 -4.57 7.11 -7.23 -1.16 -1.11 120.40 114.98 1xe3 s VAL 88 Ca 0.49 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1xe3 s VAL 88 Cb -0.25 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1xe3 s VAL 88 CO 0.31 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1xe3 n GLY 89 N 1.14 -0.50 3.69 2.32 0.00 -1.23 -4.10 105.19 106.51 1xe3 n GLY 89 Ca -0.20 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.30 2.48 0.08 2.61 -4.23 -1.26 -1.19 115.64 110.83 1xe3 s THR 90 Ca 0.00 -1.82 -0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1xe3 s THR 90 Cb 0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1xe3 s THR 90 CO 0.00 -0.09 0.19 0.00 -0.54 0.00 0.00 174.62 174.18 1xe3 s GLY 92 N -2.68 1.91 0.36 0.00 0.00 -0.68 -1.68 107.32 104.55 1xe3 s GLY 92 Ca 0.03 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.38 1xe3 s GLY 92 CO -0.09 0.86 1.14 0.00 0.00 0.00 0.00 173.10 175.01 1xe3 s ALA 93 N 1.92 3.25 0.00 3.20 0.00 -0.22 0.32 121.76 130.23 1xe3 s ALA 93 Ca 0.10 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1xe3 s ALA 93 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1xe3 s ALA 93 CO 0.11 -0.37 0.00 0.44 0.00 0.00 0.00 175.76 175.94 1xe3 n ILE 94 N 0.46 0.00 -2.79 0.00 -5.35 -0.62 -0.85 119.36 110.20 1xe3 n ILE 94 Ca 0.02 -0.01 -0.36 0.00 -0.27 0.00 0.00 62.75 62.13 1xe3 n ILE 94 Cb 0.46 0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 38.57 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 -0.99 4.51 0.29 6.28 -0.44 -1.13 -4.56 119.66 123.62 1xe3 s GLN 95 Ca 0.00 1.28 0.01 0.00 -2.50 0.00 0.00 55.36 54.16 1xe3 s GLN 95 Cb 0.00 -2.67 0.45 0.00 -1.64 0.00 0.00 33.01 29.15 1xe3 s GLN 95 CO 0.00 0.22 1.79 1.57 0.50 0.00 0.00 175.29 179.37 1xe3 h LYS 96 N 2.91 0.61 -0.06 1.67 2.10 -1.91 -2.61 116.57 119.28 1xe3 h LYS 96 Ca -0.47 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.01 1xe3 h LYS 96 Cb 1.19 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1xe3 h LYS 96 CO 0.64 0.68 0.00 -0.25 -2.00 0.00 0.00 179.45 178.52 1xe3 n ASP 97 N -4.21 1.87 -4.75 7.07 10.43 -1.26 -4.91 116.55 120.78 1xe3 n ASP 97 Ca 0.01 -1.64 -0.40 0.00 2.57 0.00 0.00 54.79 55.33 1xe3 n ASP 97 Cb 0.31 -0.03 -0.05 0.00 1.84 0.00 0.00 41.12 43.19 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 -1.95 4.67 0.27 2.53 1.01 -0.99 -5.07 120.40 120.87 1xe3 s VAL 98 Ca 0.35 1.65 0.11 0.00 0.00 0.00 0.00 61.98 64.09 1xe3 s VAL 98 Cb 0.20 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1xe3 s VAL 98 CO 0.32 0.39 -0.10 -0.54 0.00 0.00 0.00 175.10 175.17 1xe3 s LYS 99 N -0.23 2.00 0.53 2.72 -0.14 -1.26 -4.92 119.74 118.44 1xe3 s LYS 99 Ca 0.38 -1.57 -0.21 0.00 -1.36 0.00 0.00 55.97 53.21 1xe3 s LYS 99 Cb -0.21 -1.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.89 1xe3 s LYS 99 CO 0.24 0.35 1.09 1.33 -0.76 0.00 0.00 175.35 177.59 1xe3 n VAL 100 N -0.72 3.31 0.00 3.17 0.24 -1.26 -2.20 118.33 120.86 1xe3 n VAL 100 Ca -0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1xe3 n VAL 100 Cb 0.59 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.63 0.00 -1.43 7.34 1.74 0.22 -4.95 116.66 118.96 1xe3 n ARG 101 Ca 0.11 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 1xe3 n ARG 101 Cb 0.44 -2.07 0.10 0.00 -1.02 0.00 0.00 32.46 29.91 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 -3.47 4.11 -0.19 0.55 1.01 -0.94 -4.67 116.67 113.08 1xe3 s ASP 102 Ca 0.00 2.47 -0.02 0.00 0.71 0.00 0.00 52.55 55.71 1xe3 s ASP 102 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1xe3 s ASP 102 CO 0.00 -2.33 -0.08 0.68 0.21 0.00 0.00 175.17 173.65 1xe3 s VAL 103 N -1.81 3.23 -0.21 -1.27 -7.23 0.01 -0.98 120.40 112.14 1xe3 s VAL 103 Ca 0.77 -0.56 -0.17 0.00 -1.81 0.00 0.00 61.98 60.21 1xe3 s VAL 103 Cb -0.32 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1xe3 s VAL 103 CO 0.45 0.47 0.45 -0.63 -0.31 0.00 0.00 175.10 175.53 1xe3 s ILE 104 N 1.06 5.15 -0.33 -0.62 -1.09 0.11 -0.48 121.20 124.99 1xe3 s ILE 104 Ca 0.00 0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 59.18 1xe3 s ILE 104 Cb -0.15 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1xe3 s ILE 104 CO -0.01 0.20 0.09 -0.63 -1.23 0.00 0.00 174.94 173.36 1xe3 s ILE 105 N 1.59 3.58 -0.15 2.92 1.01 -0.06 -0.87 121.20 129.22 1xe3 s ILE 105 Ca 0.21 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 1xe3 s ILE 105 Cb -0.15 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1xe3 s ILE 105 CO 0.09 -0.19 1.26 0.00 0.00 0.00 0.00 174.94 176.10 1xe3 s ALA 106 N 1.36 3.64 -0.06 9.38 0.00 -0.85 -2.70 121.76 132.53 1xe3 s ALA 106 Ca -0.02 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 1xe3 s ALA 106 Cb -0.20 -3.61 -0.30 0.00 0.00 0.00 0.00 23.12 19.01 1xe3 s ALA 106 CO 0.02 -1.12 0.72 1.98 0.00 0.00 0.00 175.76 177.36 1xe3 h MET 107 N 8.11 0.33 0.00 0.00 4.05 -0.96 -3.42 114.93 123.05 1xe3 h MET 107 Ca -0.28 -0.57 -0.37 0.00 -0.28 0.00 0.00 59.70 58.21 1xe3 h MET 107 Cb 1.11 0.21 -0.09 0.00 -0.80 0.00 0.00 31.60 32.03 1xe3 h MET 107 CO 0.96 1.27 -0.32 0.25 0.23 0.00 0.00 176.91 179.30 1xe3 n THR 108 N -3.88 0.00 -3.85 -0.77 -2.24 -1.25 -1.40 114.28 100.89 1xe3 n THR 108 Ca -0.21 -1.99 -0.12 0.00 -2.27 0.00 0.00 64.05 59.46 1xe3 n THR 108 Cb 0.95 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 70.10 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 -3.02 -0.08 0.61 6.98 0.00 -1.26 -2.32 121.76 122.67 1xe3 s ALA 109 Ca 0.33 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1xe3 s ALA 109 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1xe3 s ALA 109 CO 0.23 -0.02 0.93 0.00 0.00 0.00 0.00 175.76 176.90 1xe3 s THR 111 N -3.05 0.01 -2.31 0.00 -1.32 -1.26 -0.12 115.64 107.58 1xe3 s THR 111 Ca 0.55 -0.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.20 1xe3 s THR 111 Cb -0.11 -0.94 0.51 0.00 -1.51 0.00 0.00 72.50 70.45 1xe3 s THR 111 CO 0.46 -0.03 1.46 -0.90 -2.21 0.00 0.00 174.62 173.39 1xe3 n ASP 112 N 1.15 3.67 -4.78 8.08 5.75 -1.23 -4.97 116.55 124.22 1xe3 n ASP 112 Ca -0.19 -2.00 -0.34 0.00 -0.01 0.00 0.00 54.79 52.25 1xe3 n ASP 112 Cb 0.57 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1xe3 n ASP 112 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xe3 s SER 113 N -1.31 5.86 0.00 -1.12 0.15 -1.26 -4.85 113.70 111.17 1xe3 s SER 113 Ca 0.43 2.06 0.25 0.00 0.70 0.00 0.00 55.95 59.38 1xe3 s SER 113 Cb 0.24 -2.57 0.41 0.00 -1.71 0.00 0.00 66.02 62.39 1xe3 s SER 113 CO 0.33 -1.12 1.37 -3.20 1.20 0.00 0.00 173.24 171.82 1xe3 n ASN 114 N -1.35 2.09 -0.27 5.45 5.15 -1.26 -4.59 115.26 120.48 1xe3 n ASN 114 Ca 0.11 -1.58 0.07 0.00 -0.60 0.00 0.00 54.58 52.57 1xe3 n ASN 114 Cb 0.52 0.16 0.21 0.00 -0.53 0.00 0.00 39.78 40.13 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 3.01 0.44 0.09 1.20 -0.00 -2.00 -1.59 114.93 116.07 1xe3 h MET 115 Ca 0.00 -0.03 -0.31 0.00 -0.00 0.00 0.00 59.70 59.36 1xe3 h MET 115 Cb 0.75 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 32.23 1xe3 h MET 115 CO 0.00 0.29 -1.68 -0.91 -0.00 0.00 0.00 176.91 174.61 1xe3 h ASN 116 N 0.45 0.29 -0.99 -0.10 -0.26 -1.98 -3.16 115.58 109.82 1xe3 h ASN 116 Ca 0.44 -0.50 0.12 0.00 -0.56 0.00 0.00 56.30 55.81 1xe3 h ASN 116 Cb 0.70 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 37.78 1xe3 h ASN 116 CO -0.42 1.43 0.63 0.03 -1.06 0.00 0.00 177.43 178.03 1xe3 h ARG 117 N 0.05 0.93 -0.63 0.81 2.47 -1.75 0.21 114.38 116.47 1xe3 h ARG 117 Ca -0.29 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.31 1xe3 h ARG 117 Cb 2.01 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 30.10 1xe3 h ARG 117 CO 0.12 0.62 0.16 1.25 0.56 0.00 0.00 179.97 182.68 1xe3 h LEU 118 N 0.96 0.95 -0.18 3.04 6.46 -1.35 -1.98 115.31 123.21 1xe3 h LEU 118 Ca 0.50 -0.23 -0.22 0.00 -0.12 0.00 0.00 57.88 57.80 1xe3 h LEU 118 Cb 0.53 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1xe3 h LEU 118 CO -0.26 0.93 -0.82 0.74 -0.62 0.00 0.00 178.44 178.42 1xe3 h THR 119 N 0.93 1.30 -2.52 1.05 2.02 -1.32 -3.37 112.91 110.99 1xe3 h THR 119 Ca 0.20 -2.06 -0.60 0.00 0.77 0.00 0.00 66.41 64.72 1xe3 h THR 119 Cb 0.35 2.07 -0.41 0.00 -1.74 0.00 0.00 68.15 68.42 1xe3 h THR 119 CO 0.00 0.64 -0.65 0.49 0.37 0.00 0.00 175.52 176.37 1xe3 n PHE 120 N -3.90 2.88 -1.73 3.16 3.01 0.67 -5.10 117.46 116.45 1xe3 n PHE 120 Ca -0.07 -4.11 -0.42 0.00 1.01 0.00 0.00 57.45 53.85 1xe3 n PHE 120 Cb 0.76 -0.51 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1xe3 n PHE 120 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1xe3 s PRO 121 N -1.83 4.13 0.00 -1.08 0.04 -0.75 -1.83 135.00 133.67 1xe3 s PRO 121 Ca 0.33 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1xe3 s PRO 121 Cb 0.07 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1xe3 s PRO 121 CO -0.09 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1xe3 n GLY 122 N 4.09 0.84 3.37 0.56 0.00 -1.26 -5.06 105.19 107.72 1xe3 n GLY 122 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 2.36 -0.40 1.61 0.40 -0.76 -5.10 117.98 113.67 1xe3 s PHE 123 Ca 0.00 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.75 1xe3 s PHE 123 Cb 0.00 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.15 1xe3 s PHE 123 CO 0.00 0.16 0.59 -0.51 0.70 0.00 0.00 175.22 176.16 1xe3 s ASP 124 N -1.31 6.33 -0.07 1.36 1.01 -1.26 -4.66 116.67 118.07 1xe3 s ASP 124 Ca 0.12 -0.21 -0.24 0.00 0.71 0.00 0.00 52.55 52.93 1xe3 s ASP 124 Cb -0.10 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1xe3 s ASP 124 CO 0.03 -0.66 0.73 0.12 0.21 0.00 0.00 175.17 175.60 1xe3 s PHE 125 N 2.64 3.58 -0.45 4.23 5.36 -1.26 -5.04 117.98 127.03 1xe3 s PHE 125 Ca 0.21 1.28 -0.05 0.00 -0.96 0.00 0.00 56.93 57.41 1xe3 s PHE 125 Cb -0.15 -2.84 0.12 0.00 -0.34 0.00 0.00 43.02 39.82 1xe3 s PHE 125 CO 0.16 0.07 0.27 0.00 -1.46 0.00 0.00 175.22 174.26 1xe3 s ALA 126 N 0.87 3.27 0.24 11.12 0.00 -1.26 -5.01 121.76 130.98 1xe3 s ALA 126 Ca 0.39 -2.61 -0.30 0.00 0.00 0.00 0.00 51.96 49.44 1xe3 s ALA 126 Cb -0.18 -2.56 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 1xe3 s ALA 126 CO 0.19 -1.86 1.27 -2.14 0.00 0.00 0.00 175.76 173.21 1xe3 s PRO 127 N 1.08 4.43 -0.14 0.00 0.02 -1.26 -5.01 135.00 134.12 1xe3 s PRO 127 Ca 0.08 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 1xe3 s PRO 127 Cb -0.23 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 1xe3 s PRO 127 CO -0.03 -0.16 0.01 0.00 -0.33 0.00 0.00 177.00 176.49 1xe3 s ALA 128 N -0.37 3.26 0.67 -1.55 0.00 -1.26 -4.03 121.76 118.47 1xe3 s ALA 128 Ca 0.53 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1xe3 s ALA 128 Cb -0.36 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1xe3 s ALA 128 CO 0.42 0.34 1.20 0.00 0.00 0.00 0.00 175.76 177.72 1xe3 n ALA 129 N 3.01 0.73 -2.20 0.00 0.00 -0.49 -4.89 120.51 116.67 1xe3 n ALA 129 Ca -0.18 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1xe3 n ALA 129 Cb 0.53 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.48 6.81 0.21 0.00 2.47 -0.82 -4.92 114.94 117.21 1xe3 s ASN 130 Ca 0.80 2.03 -0.08 0.00 0.42 0.00 0.00 52.86 56.03 1xe3 s ASN 130 Cb -0.37 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.04 1xe3 s ASN 130 CO 0.43 -0.81 1.77 0.15 -3.72 0.00 0.00 177.10 174.93 1xe3 h PHE 131 N 8.57 1.21 0.28 0.43 3.57 -1.93 -1.38 116.94 127.69 1xe3 h PHE 131 Ca -0.35 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1xe3 h PHE 131 Cb 1.15 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1xe3 h PHE 131 CO 0.82 0.91 -0.36 0.22 -2.23 0.00 0.00 178.31 177.67 1xe3 h ASP 132 N 1.15 -1.00 -0.66 0.41 1.82 -1.98 0.08 116.42 116.24 1xe3 h ASP 132 Ca 0.26 0.10 0.09 0.00 -0.39 0.00 0.00 57.03 57.09 1xe3 h ASP 132 Cb 0.23 0.35 -0.07 0.00 0.68 0.00 0.00 39.33 40.52 1xe3 h ASP 132 CO -0.02 -0.48 0.29 -0.07 -1.61 0.00 0.00 179.24 177.34 1xe3 h LEU 133 N -0.69 0.33 -0.17 2.28 3.38 -1.90 -1.97 115.31 116.57 1xe3 h LEU 133 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xe3 h LEU 133 Cb 0.65 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1xe3 h LEU 133 CO -0.11 0.19 0.07 0.25 0.09 0.00 0.00 178.44 178.93 1xe3 h LEU 134 N 0.50 0.23 -0.65 1.67 6.46 -0.87 -1.40 115.31 121.24 1xe3 h LEU 134 Ca 0.33 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1xe3 h LEU 134 Cb 0.38 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1xe3 h LEU 134 CO -0.29 0.33 0.36 0.50 -0.62 0.00 0.00 178.44 178.72 1xe3 h LYS 135 N 0.12 0.91 -0.52 1.25 3.64 -0.84 -0.89 116.57 120.24 1xe3 h LYS 135 Ca 0.06 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1xe3 h LYS 135 Cb 0.17 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1xe3 h LYS 135 CO -0.00 0.68 0.30 0.87 -2.27 0.00 0.00 179.45 179.02 1xe3 h LYS 136 N 0.89 0.57 -0.33 1.90 1.57 -1.16 -0.51 116.57 119.50 1xe3 h LYS 136 Ca 0.23 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1xe3 h LYS 136 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1xe3 h LYS 136 CO -0.04 0.38 -0.28 0.00 -0.57 0.00 0.00 179.45 178.94 1xe3 h ALA 137 N 1.24 0.89 0.10 3.86 0.00 -1.14 -1.49 119.26 122.73 1xe3 h ALA 137 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xe3 h ALA 137 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xe3 h ALA 137 CO -0.11 0.62 -0.05 -0.92 0.00 0.00 0.00 179.25 178.79 1xe3 h TYR 138 N 0.59 -0.13 -0.40 0.00 3.20 -0.87 -1.19 116.97 118.18 1xe3 h TYR 138 Ca 0.07 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1xe3 h TYR 138 Cb 0.77 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1xe3 h TYR 138 CO 0.04 0.19 0.18 -0.44 -1.64 0.00 0.00 178.16 176.49 1xe3 h ASP 139 N -0.46 0.25 -0.89 -2.11 3.32 -1.11 0.78 116.42 116.19 1xe3 h ASP 139 Ca -0.01 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1xe3 h ASP 139 Cb 0.38 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1xe3 h ASP 139 CO 0.02 0.18 0.59 0.00 -1.72 0.00 0.00 179.24 178.32 1xe3 h ALA 140 N 1.23 1.40 -0.27 3.45 0.00 -1.28 0.60 119.26 124.39 1xe3 h ALA 140 Ca 0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1xe3 h ALA 140 Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xe3 h ALA 140 CO -0.14 0.53 -0.44 0.78 0.00 0.00 0.00 179.25 179.98 1xe3 h GLY 141 N 1.16 0.84 1.69 0.00 0.00 -0.64 -2.48 103.07 103.65 1xe3 h GLY 141 Ca 0.34 -0.96 -0.18 0.00 0.00 0.00 0.00 47.33 46.53 1xe3 h GLY 141 CO -0.09 0.86 -0.73 -0.91 0.00 0.00 0.00 176.54 175.68 1xe3 h THR 142 N 0.52 1.41 -0.65 4.70 1.35 -0.70 -2.04 112.91 117.49 1xe3 h THR 142 Ca 0.02 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1xe3 h THR 142 Cb 1.04 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 69.60 1xe3 h THR 142 CO 0.10 0.65 0.42 -0.08 -0.25 0.00 0.00 175.52 176.37 1xe3 h GLU 143 N 0.20 0.87 0.00 4.72 4.57 -0.90 -2.71 114.58 121.33 1xe3 h GLU 143 Ca -0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1xe3 h GLU 143 Cb 1.29 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1xe3 h GLU 143 CO 0.12 0.58 0.00 -0.22 -1.18 0.00 0.00 179.01 178.31 1xe3 h LYS 144 N 0.89 0.00 0.00 1.92 3.64 -1.20 -3.48 116.57 118.34 1xe3 h LYS 144 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1xe3 h LYS 144 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1xe3 h LYS 144 CO -0.05 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.54 1xe3 n GLY 145 N 1.12 0.25 3.76 5.01 0.00 -0.88 -5.07 105.19 109.37 1xe3 n GLY 145 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.04 -0.99 0.99 1.43 -0.82 -4.92 118.68 118.42 1xe3 s LEU 146 Ca 0.00 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.71 1xe3 s LEU 146 Cb 0.00 -4.03 0.04 0.00 0.03 0.00 0.00 46.19 42.22 1xe3 s LEU 146 CO 0.00 -1.26 1.51 -1.00 0.23 0.00 0.00 176.35 175.83 1xe3 s HIS 147 N -1.24 2.42 -0.11 0.29 3.76 -1.26 -4.47 115.29 114.68 1xe3 s HIS 147 Ca 0.64 -0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 54.79 1xe3 s HIS 147 Cb -0.42 -4.61 -0.05 0.00 1.11 0.00 0.00 32.58 28.61 1xe3 s HIS 147 CO 0.53 -1.93 0.40 0.14 -0.85 0.00 0.00 174.74 173.03 1xe3 s VAL 148 N 5.70 5.20 -0.16 -0.90 -7.23 -1.26 -0.81 120.40 120.93 1xe3 s VAL 148 Ca 0.49 0.79 -0.00 0.00 -1.81 0.00 0.00 61.98 61.44 1xe3 s VAL 148 Cb -0.01 -3.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.19 1xe3 s VAL 148 CO -0.07 0.40 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.85 1xe3 s ARG 149 N 0.19 3.25 -0.25 4.82 1.81 0.36 -4.94 118.95 124.20 1xe3 s ARG 149 Ca 0.22 -0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 53.41 1xe3 s ARG 149 Cb -0.15 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.64 1xe3 s ARG 149 CO 0.09 0.01 0.13 0.08 -0.68 0.00 0.00 175.30 174.93 1xe3 s VAL 150 N 0.85 4.96 -0.24 3.52 1.01 -1.26 -0.88 120.40 128.36 1xe3 s VAL 150 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1xe3 s VAL 150 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1xe3 s VAL 150 CO -0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1xe3 n GLY 151 N 4.60 -0.67 3.94 4.51 0.00 -1.10 -4.95 105.19 111.52 1xe3 n GLY 151 Ca -0.15 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 6.34 0.25 1.61 6.03 -1.26 -0.22 114.94 123.69 1xe3 s ASN 152 Ca 0.00 0.31 0.07 0.00 -1.03 0.00 0.00 52.86 52.21 1xe3 s ASN 152 Cb 0.00 -1.97 -0.05 0.00 -3.03 0.00 0.00 41.25 36.20 1xe3 s ASN 152 CO 0.00 -0.10 -0.09 0.68 -2.03 0.00 0.00 177.10 175.56 1xe3 s VAL 153 N -1.99 1.66 -0.33 3.54 -7.23 -0.98 -1.35 120.40 113.73 1xe3 s VAL 153 Ca 0.37 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 1xe3 s VAL 153 Cb -0.10 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1xe3 s VAL 153 CO 0.31 -0.42 0.33 -0.22 -0.31 0.00 0.00 175.10 174.78 1xe3 s LEU 154 N -3.39 4.36 -0.79 1.32 0.20 0.02 -0.04 118.68 120.37 1xe3 s LEU 154 Ca 0.27 -0.18 -0.23 0.00 0.69 0.00 0.00 54.13 54.68 1xe3 s LEU 154 Cb 0.02 -2.30 0.07 0.00 -0.43 0.00 0.00 46.19 43.55 1xe3 s LEU 154 CO 0.10 -0.28 1.15 -0.89 -0.29 0.00 0.00 176.35 176.14 1xe3 s THR 155 N 1.95 4.20 0.24 3.68 2.01 0.83 -0.91 115.64 127.64 1xe3 s THR 155 Ca 0.11 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 1xe3 s THR 155 Cb -0.17 -4.82 -0.08 0.00 0.01 0.00 0.00 72.50 67.44 1xe3 s THR 155 CO 0.11 -1.64 0.70 0.00 -0.69 0.00 0.00 174.62 173.10 1xe3 s ALA 156 N 4.33 3.41 -0.13 7.40 0.00 0.69 -3.54 121.76 133.93 1xe3 s ALA 156 Ca 0.31 0.06 0.19 0.00 0.00 0.00 0.00 51.96 52.52 1xe3 s ALA 156 Cb -0.10 -2.74 -0.19 0.00 0.00 0.00 0.00 23.12 20.08 1xe3 s ALA 156 CO 0.04 0.36 0.60 -3.47 0.00 0.00 0.00 175.76 173.29 1xe3 n ASP 157 N 0.34 0.49 -4.47 0.00 2.03 -1.26 -4.40 116.55 109.28 1xe3 n ASP 157 Ca -0.01 0.21 -0.33 0.00 0.52 0.00 0.00 54.79 55.18 1xe3 n ASP 157 Cb 0.52 0.76 -0.13 0.00 -0.72 0.00 0.00 41.12 41.55 1xe3 n ASP 157 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1xe3 s VAL 158 N -2.99 3.31 -0.17 5.18 -7.23 -1.26 -5.02 120.40 112.23 1xe3 s VAL 158 Ca -0.05 -0.60 -0.26 0.00 -1.81 0.00 0.00 61.98 59.26 1xe3 s VAL 158 Cb 0.09 -2.36 -0.23 0.00 0.56 0.00 0.00 36.38 34.44 1xe3 s VAL 158 CO 0.84 0.56 0.54 0.15 -0.31 0.00 0.00 175.10 176.88 1xe3 h PHE 159 N 5.94 0.01 -3.14 2.82 3.57 -1.99 -3.42 116.94 120.73 1xe3 h PHE 159 Ca -0.38 -0.01 -0.74 0.00 3.53 0.00 0.00 57.97 60.37 1xe3 h PHE 159 Cb 1.18 -0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.70 1xe3 h PHE 159 CO 0.52 1.21 0.43 0.71 -2.23 0.00 0.00 178.31 178.95 1xe3 s TYR 160 N -2.28 3.44 -0.03 0.41 1.51 -1.26 -5.02 117.35 114.11 1xe3 s TYR 160 Ca -0.23 -1.68 -0.18 0.00 -1.01 0.00 0.00 57.07 53.98 1xe3 s TYR 160 Cb 0.01 -4.04 -0.05 0.00 -0.11 0.00 0.00 41.96 37.77 1xe3 s TYR 160 CO 0.65 -1.23 0.50 0.50 -1.11 0.00 0.00 175.55 174.86 1xe3 s ARG 161 N 1.42 4.20 0.15 -0.62 3.52 -1.26 -4.98 118.95 121.38 1xe3 s ARG 161 Ca 0.24 0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 56.23 1xe3 s ARG 161 Cb -0.08 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1xe3 s ARG 161 CO -0.09 0.43 1.75 1.49 -0.81 0.00 0.00 175.30 178.08 1xe3 h GLU 162 N 5.57 0.26 -5.02 5.12 4.81 -1.99 -3.43 114.58 119.90 1xe3 h GLU 162 Ca -0.46 -0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.31 1xe3 h GLU 162 Cb 1.20 -0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.23 1xe3 h GLU 162 CO 0.68 0.18 -0.80 0.45 -0.73 0.00 0.00 179.01 178.79 1xe3 s SER 163 N -5.36 1.37 0.00 1.04 0.15 -1.26 -5.04 113.70 104.60 1xe3 s SER 163 Ca -0.13 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 56.54 1xe3 s SER 163 Cb 0.12 -0.15 0.46 0.00 -1.71 0.00 0.00 66.02 64.73 1xe3 s SER 163 CO 0.71 0.14 1.41 0.23 1.20 0.00 0.00 173.24 176.93 1xe3 n MET 164 N 2.79 2.31 -0.12 5.44 2.81 -1.26 -4.58 117.12 124.50 1xe3 n MET 164 Ca -0.14 -1.96 -0.01 0.00 -1.81 0.00 0.00 57.70 53.78 1xe3 n MET 164 Cb 0.56 -1.48 0.24 0.00 -0.71 0.00 0.00 33.22 31.83 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 4.07 0.73 -0.06 7.83 3.32 -1.98 0.71 116.42 131.03 1xe3 h ASP 165 Ca 0.00 -0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.72 1xe3 h ASP 165 Cb 0.89 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.26 1xe3 h ASP 165 CO 0.00 0.66 -0.88 0.24 -1.72 0.00 0.00 179.24 177.54 1xe3 h MET 166 N 0.79 0.74 -0.14 3.56 2.86 -1.99 -1.26 114.93 119.48 1xe3 h MET 166 Ca 0.19 -0.67 -0.15 0.00 -2.06 0.00 0.00 59.70 57.01 1xe3 h MET 166 Cb 0.16 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1xe3 h MET 166 CO -0.02 1.27 -0.55 -0.39 1.06 0.00 0.00 176.91 178.28 1xe3 h VAL 167 N 0.47 1.34 -0.46 -2.22 -1.51 -1.80 -0.97 116.25 111.10 1xe3 h VAL 167 Ca -0.08 -1.82 0.06 0.00 -1.23 0.00 0.00 66.70 63.63 1xe3 h VAL 167 Cb 1.51 1.83 -0.05 0.00 -2.13 0.00 0.00 31.29 32.45 1xe3 h VAL 167 CO 0.18 0.56 0.16 0.50 -1.23 0.00 0.00 177.57 177.73 1xe3 h LYS 168 N 0.33 0.32 -0.64 5.19 1.63 -0.89 -1.60 116.57 120.92 1xe3 h LYS 168 Ca 0.01 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1xe3 h LYS 168 Cb 1.07 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1xe3 h LYS 168 CO 0.10 0.21 0.25 -0.22 -3.45 0.00 0.00 179.45 176.34 1xe3 h LYS 169 N 0.33 0.96 -0.83 1.90 3.64 -0.82 -0.93 116.57 120.82 1xe3 h LYS 169 Ca 0.22 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1xe3 h LYS 169 Cb 0.22 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1xe3 h LYS 169 CO -0.22 0.81 0.53 -0.07 -2.27 0.00 0.00 179.45 178.23 1xe3 h LEU 170 N 0.90 0.86 -0.86 5.20 3.38 -1.08 -1.55 115.31 122.16 1xe3 h LEU 170 Ca 0.21 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1xe3 h LEU 170 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1xe3 h LEU 170 CO -0.02 0.57 0.57 1.23 0.09 0.00 0.00 178.44 180.89 1xe3 h GLY 171 N 1.00 1.21 2.00 0.83 0.00 -0.81 -0.95 103.07 106.36 1xe3 h GLY 171 Ca 0.34 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1xe3 h GLY 171 CO -0.14 0.44 -0.11 -0.55 0.00 0.00 0.00 176.54 176.19 1xe3 h ASP 172 N 1.16 0.00 -0.32 0.19 3.32 -0.74 -1.50 116.42 118.53 1xe3 h ASP 172 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1xe3 h ASP 172 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1xe3 h ASP 172 CO -0.07 0.11 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 1xe3 n TYR 173 N -4.38 0.67 -0.43 4.55 4.02 -0.62 -4.91 117.16 116.05 1xe3 n TYR 173 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1xe3 n TYR 173 Cb 0.18 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.77 0.73 3.72 2.72 0.00 -0.57 -5.04 105.19 107.53 1xe3 n GLY 174 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.68 3.20 -0.01 1.61 1.01 -0.43 -4.73 120.40 118.36 1xe3 s VAL 175 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 1xe3 s VAL 175 Cb 0.00 -3.56 -0.33 0.00 0.00 0.00 0.00 36.38 32.49 1xe3 s VAL 175 CO 0.00 0.08 0.85 -0.07 0.00 0.00 0.00 175.10 175.96 1xe3 h LEU 176 N 6.62 0.73 -7.66 3.92 3.38 -1.53 -3.16 115.31 117.61 1xe3 h LEU 176 Ca -0.42 -0.93 0.14 0.00 0.09 0.00 0.00 57.88 56.76 1xe3 h LEU 176 Cb 1.21 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1xe3 h LEU 176 CO 0.86 1.72 0.42 0.00 0.09 0.00 0.00 178.44 181.53 1xe3 s ALA 177 N -2.57 -1.58 -0.04 1.53 0.00 -1.26 -1.58 121.76 116.26 1xe3 s ALA 177 Ca -0.12 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1xe3 s ALA 177 Cb 0.04 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1xe3 s ALA 177 CO 0.90 -1.01 -0.23 0.54 0.00 0.00 0.00 175.76 175.96 1xe3 s VAL 178 N -3.42 2.31 0.00 0.00 0.11 0.15 -0.80 120.40 118.75 1xe3 s VAL 178 Ca 0.11 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1xe3 s VAL 178 Cb -0.02 -1.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1xe3 s VAL 178 CO 0.02 0.58 0.00 -1.84 -3.33 0.00 0.00 175.10 170.53 1xe3 n GLU 179 N 2.53 0.00 -0.14 1.54 -0.00 -0.09 -1.68 120.64 122.80 1xe3 n GLU 179 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.00 1xe3 n GLU 179 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.66 0.00 3.44 2.81 -1.26 -0.22 117.12 122.54 1xe3 n MET 180 Ca 0.00 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 1xe3 n MET 180 Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -0.24 1.41 0.22 0.03 4.71 -1.26 -1.85 120.64 123.67 1xe3 n GLU 181 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.24 1xe3 n GLU 181 Cb 0.52 -0.53 0.52 0.00 -1.01 0.00 0.00 31.44 30.95 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 0.90 -0.72 2.62 1.35 -1.94 -2.15 112.91 112.96 1xe3 h THR 182 Ca 0.00 -0.92 0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1xe3 h THR 182 Cb 0.04 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1xe3 h THR 182 CO 0.00 0.24 0.43 0.74 -0.25 0.00 0.00 175.52 176.68 1xe3 h THR 183 N 0.00 1.05 -0.36 6.82 2.02 -1.92 -0.58 112.91 119.93 1xe3 h THR 183 Ca -0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1xe3 h THR 183 Cb 0.52 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1xe3 h THR 183 CO 0.03 0.15 0.18 0.00 0.37 0.00 0.00 175.52 176.25 1xe3 h ALA 184 N 1.33 0.46 -0.23 6.16 0.00 -1.73 -1.83 119.26 123.42 1xe3 h ALA 184 Ca 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xe3 h ALA 184 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xe3 h ALA 184 CO -0.14 0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.31 1xe3 h LEU 185 N 0.45 0.46 -0.51 0.00 5.85 -1.35 -2.35 115.31 117.86 1xe3 h LEU 185 Ca 0.12 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.31 1xe3 h LEU 185 Cb 0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xe3 h LEU 185 CO -0.02 0.73 -0.46 1.88 -0.34 0.00 0.00 178.44 180.24 1xe3 h TYR 186 N 0.19 0.86 -0.10 1.25 -1.99 -1.11 -1.10 116.97 114.96 1xe3 h TYR 186 Ca 0.06 -0.27 -0.04 0.00 2.00 0.00 0.00 58.73 60.48 1xe3 h TYR 186 Cb 0.54 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 1xe3 h TYR 186 CO 0.05 1.03 -0.08 1.15 -0.00 0.00 0.00 178.16 180.31 1xe3 h THR 187 N 0.56 1.35 -0.40 -2.88 2.02 -1.35 -2.45 112.91 109.76 1xe3 h THR 187 Ca 0.03 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 1xe3 h THR 187 Cb 1.01 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1xe3 h THR 187 CO 0.10 0.34 -0.19 -0.07 0.37 0.00 0.00 175.52 176.06 1xe3 h LEU 188 N -0.16 0.86 -0.35 2.58 3.38 -1.43 -0.85 115.31 119.34 1xe3 h LEU 188 Ca 0.02 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1xe3 h LEU 188 Cb 0.57 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1xe3 h LEU 188 CO 0.02 1.07 0.13 0.00 0.09 0.00 0.00 178.44 179.75 1xe3 h ALA 189 N 0.82 0.40 -0.61 1.53 0.00 -1.26 -1.57 119.26 118.57 1xe3 h ALA 189 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xe3 h ALA 189 Cb 0.75 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xe3 h ALA 189 CO 0.06 -0.27 0.34 0.00 0.00 0.00 0.00 179.25 179.38 1xe3 h ALA 190 N 1.22 0.79 -0.66 0.00 0.00 -1.38 0.78 119.26 120.01 1xe3 h ALA 190 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xe3 h ALA 190 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1xe3 h ALA 190 CO -0.15 0.30 0.41 -0.22 0.00 0.00 0.00 179.25 179.59 1xe3 h LYS 191 N 0.83 0.80 -0.10 0.00 3.64 -0.65 -2.77 116.57 118.32 1xe3 h LYS 191 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xe3 h LYS 191 Cb 0.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xe3 h LYS 191 CO -0.04 0.53 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 1xe3 n TYR 192 N -4.68 0.12 -2.86 1.91 4.01 -0.63 -4.95 117.16 110.08 1xe3 n TYR 192 Ca 0.06 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1xe3 n TYR 192 Cb 0.07 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.15 0.28 3.66 2.72 0.00 -0.30 -5.05 105.19 107.66 1xe3 n GLY 193 Ca 0.17 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1xe3 n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xe3 s VAL 194 N -3.04 1.09 -0.15 1.61 -7.23 0.11 -5.02 120.40 107.77 1xe3 s VAL 194 Ca 0.21 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1xe3 s VAL 194 Cb -0.09 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1xe3 s VAL 194 CO 0.27 0.00 -0.06 0.20 -0.31 0.00 0.00 175.10 175.19 1xe3 s ASN 195 N -3.77 4.53 0.06 4.85 0.02 -0.40 -4.22 114.94 116.02 1xe3 s ASN 195 Ca 0.15 -0.20 0.02 0.00 -1.02 0.00 0.00 52.86 51.80 1xe3 s ASN 195 Cb 0.03 -1.73 -0.03 0.00 0.02 0.00 0.00 41.25 39.54 1xe3 s ASN 195 CO 0.08 0.16 -0.07 0.00 0.02 0.00 0.00 177.10 177.29 1xe3 s ALA 196 N 0.43 0.73 -0.03 0.60 0.00 -1.26 -0.45 121.76 121.78 1xe3 s ALA 196 Ca -0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1xe3 s ALA 196 Cb -0.15 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.14 1xe3 s ALA 196 CO 0.03 -0.12 0.68 -1.17 0.00 0.00 0.00 175.76 175.19 1xe3 s LEU 197 N -2.20 -0.64 -0.10 0.00 2.96 -0.65 -1.95 118.68 116.10 1xe3 s LEU 197 Ca -0.01 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1xe3 s LEU 197 Cb -0.03 2.53 0.01 0.00 0.50 0.00 0.00 46.19 49.19 1xe3 s LEU 197 CO -0.02 -0.64 -0.20 -0.44 -1.32 0.00 0.00 176.35 173.73 1xe3 s SER 198 N -1.34 2.75 -0.13 3.68 0.01 -1.26 -0.30 113.70 117.11 1xe3 s SER 198 Ca -0.10 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 1xe3 s SER 198 Cb -0.00 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 65.00 1xe3 s SER 198 CO 0.08 0.10 -0.10 -0.69 0.41 0.00 0.00 173.24 173.03 1xe3 s VAL 199 N 0.59 1.23 0.03 3.43 1.01 -0.27 -2.01 120.40 124.42 1xe3 s VAL 199 Ca -0.14 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1xe3 s VAL 199 Cb -0.17 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1xe3 s VAL 199 CO 0.04 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.70 1xe3 s LEU 200 N 1.62 2.17 -0.19 3.92 1.43 -0.05 -3.47 118.68 124.11 1xe3 s LEU 200 Ca 0.05 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1xe3 s LEU 200 Cb -0.13 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 1xe3 s LEU 200 CO -0.09 -0.09 0.13 -0.89 0.23 0.00 0.00 176.35 175.64 1xe3 s THR 201 N -0.93 5.39 -0.29 5.49 2.01 -0.34 0.04 115.64 127.02 1xe3 s THR 201 Ca -0.04 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1xe3 s THR 201 Cb -0.07 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1xe3 s THR 201 CO 0.00 0.45 1.71 -0.69 -0.69 0.00 0.00 174.62 175.41 1xe3 s VAL 202 N 0.26 3.57 0.00 3.82 1.01 -0.15 -1.03 120.40 127.89 1xe3 s VAL 202 Ca 0.08 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1xe3 s VAL 202 Cb -0.11 -3.69 -0.28 0.00 0.00 0.00 0.00 36.38 32.30 1xe3 s VAL 202 CO -0.01 -0.38 0.86 0.77 0.00 0.00 0.00 175.10 176.34 1xe3 h SER 203 N 11.90 0.42 -5.18 3.32 4.64 -1.67 0.66 113.55 127.65 1xe3 h SER 203 Ca -0.34 -0.57 -0.02 0.00 -0.47 0.00 0.00 61.79 60.39 1xe3 h SER 203 Cb 1.16 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.03 1xe3 h SER 203 CO 1.02 1.47 -0.02 1.51 -0.87 0.00 0.00 176.83 179.94 1xe3 s ASP 204 N -7.03 -0.14 -0.23 4.97 1.47 -1.25 -1.84 116.67 112.62 1xe3 s ASP 204 Ca -0.09 -0.84 -0.02 0.00 1.18 0.00 0.00 52.55 52.77 1xe3 s ASP 204 Cb 0.07 0.62 0.01 0.00 -0.34 0.00 0.00 42.92 43.28 1xe3 s ASP 204 CO 0.86 -1.20 -0.07 -2.28 0.68 0.00 0.00 175.17 173.16 1xe3 s HIS 205 N -3.99 2.97 0.28 2.11 5.65 0.16 -1.05 115.29 121.41 1xe3 s HIS 205 Ca 0.19 -1.26 0.01 0.00 0.25 0.00 0.00 55.06 54.25 1xe3 s HIS 205 Cb -0.02 -2.07 0.54 0.00 -1.18 0.00 0.00 32.58 29.85 1xe3 s HIS 205 CO 0.08 -0.65 1.84 0.82 -0.65 0.00 0.00 174.74 176.18 1xe3 h ILE 206 N 5.89 0.93 0.00 0.89 1.08 -1.29 0.11 117.51 125.12 1xe3 h ILE 206 Ca -0.39 -0.34 -0.36 0.00 -0.39 0.00 0.00 64.86 63.38 1xe3 h ILE 206 Cb 1.14 -0.16 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 1xe3 h ILE 206 CO 0.60 0.18 -2.36 0.49 -0.69 0.00 0.00 178.15 176.38 1xe3 n PHE 207 N -4.62 0.00 0.14 1.37 3.72 -1.26 -4.29 117.46 112.52 1xe3 n PHE 207 Ca 0.19 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.61 1xe3 n PHE 207 Cb 0.34 -0.96 0.03 0.00 -0.94 0.00 0.00 39.48 37.96 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 0.90 0.00 4.37 1.35 -1.92 -3.47 112.91 114.14 1xe3 h THR 208 Ca -0.54 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1xe3 h THR 208 Cb 2.11 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.95 1xe3 h THR 208 CO -0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1xe3 n GLY 209 N 1.18 0.70 3.73 5.82 0.00 0.38 -5.00 105.19 112.01 1xe3 n GLY 209 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.24 2.64 -3.98 1.61 -0.58 -1.25 -4.82 120.64 112.02 1xe3 n GLU 210 Ca 0.00 0.94 -0.10 0.00 -0.42 0.00 0.00 57.16 57.59 1xe3 n GLU 210 Cb 0.02 -2.72 -0.07 0.00 -0.57 0.00 0.00 31.44 28.10 1xe3 n GLU 210 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xe3 s GLU 211 N -0.23 1.12 -0.11 3.49 -1.05 -1.26 0.36 118.70 121.01 1xe3 s GLU 211 Ca 0.66 -1.20 -0.10 0.00 -0.15 0.00 0.00 54.97 54.18 1xe3 s GLU 211 Cb -0.52 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 33.56 1xe3 s GLU 211 CO 0.46 -0.40 0.30 -0.08 0.95 0.00 0.00 175.26 176.49 1xe3 s THR 212 N -3.97 -0.00 0.49 1.83 -1.32 -0.77 -4.98 115.64 106.91 1xe3 s THR 212 Ca 0.18 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.54 1xe3 s THR 212 Cb 0.04 -0.42 -0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1xe3 s THR 212 CO -0.00 0.00 0.89 -0.89 -2.21 0.00 0.00 174.62 172.41 1xe3 s THR 213 N 0.26 4.69 0.24 5.08 2.01 -1.26 -4.82 115.64 121.84 1xe3 s THR 213 Ca -0.01 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1xe3 s THR 213 Cb -0.03 -3.76 0.21 0.00 0.01 0.00 0.00 72.50 68.93 1xe3 s THR 213 CO -0.00 -0.71 1.84 -1.28 -0.69 0.00 0.00 174.62 173.78 1xe3 h SER 214 N 0.80 0.80 -0.65 3.53 0.87 -1.97 -2.10 113.55 114.83 1xe3 h SER 214 Ca -0.47 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1xe3 h SER 214 Cb 1.19 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1xe3 h SER 214 CO 0.62 0.51 0.38 -0.08 -0.53 0.00 0.00 176.83 177.74 1xe3 h GLU 215 N 0.93 0.90 0.00 2.24 4.81 -2.00 -2.86 114.58 118.60 1xe3 h GLU 215 Ca 0.37 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1xe3 h GLU 215 Cb 0.19 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xe3 h GLU 215 CO -0.18 0.65 -0.16 0.93 -0.73 0.00 0.00 179.01 179.53 1xe3 h GLU 216 N 0.89 0.00 -0.23 1.92 5.08 -1.78 -3.09 114.58 117.37 1xe3 h GLU 216 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xe3 h GLU 216 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xe3 h GLU 216 CO -0.04 0.16 0.00 2.89 -1.00 0.00 0.00 179.01 181.01 1xe3 n ARG 217 N -3.61 2.72 -0.27 2.33 1.85 -0.93 -4.78 116.66 113.98 1xe3 n ARG 217 Ca -0.01 -2.37 -0.04 0.00 -1.00 0.00 0.00 57.85 54.42 1xe3 n ARG 217 Cb 0.29 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.26 1xe3 n ARG 217 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1xe3 h GLN 218 N 1.46 0.97 -0.50 2.89 4.15 -1.42 -1.72 115.11 120.93 1xe3 h GLN 218 Ca 0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1xe3 h GLN 218 Cb 1.03 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1xe3 h GLN 218 CO 0.09 0.64 0.21 1.15 -1.93 0.00 0.00 178.83 178.99 1xe3 h THR 219 N 0.99 1.21 -0.45 2.39 2.02 -1.86 -0.41 112.91 116.81 1xe3 h THR 219 Ca 0.27 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1xe3 h THR 219 Cb -0.10 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xe3 h THR 219 CO -0.06 0.24 0.18 0.74 0.37 0.00 0.00 175.52 176.98 1xe3 h THR 220 N 0.67 1.20 -0.63 3.16 2.02 -1.89 -1.58 112.91 115.86 1xe3 h THR 220 Ca 0.17 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1xe3 h THR 220 Cb 0.18 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1xe3 h THR 220 CO -0.02 0.23 0.37 0.15 0.37 0.00 0.00 175.52 176.63 1xe3 h PHE 221 N 0.58 0.70 -0.57 3.16 3.57 -0.95 0.40 116.94 123.83 1xe3 h PHE 221 Ca 0.15 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1xe3 h PHE 221 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1xe3 h PHE 221 CO 0.00 0.38 0.08 -0.91 -2.23 0.00 0.00 178.31 175.63 1xe3 h ASN 222 N 0.72 0.87 0.35 0.41 2.35 -0.86 -1.17 115.58 118.25 1xe3 h ASN 222 Ca 0.26 -0.19 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1xe3 h ASN 222 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1xe3 h ASN 222 CO -0.13 0.88 -0.65 -0.33 -1.65 0.00 0.00 177.43 175.56 1xe3 h GLU 223 N 0.86 0.27 -0.53 0.81 5.08 -0.97 -2.15 114.58 117.95 1xe3 h GLU 223 Ca 0.18 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xe3 h GLU 223 Cb 0.39 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xe3 h GLU 223 CO 0.01 0.83 0.28 1.98 -1.00 0.00 0.00 179.01 181.11 1xe3 h MET 224 N 0.20 0.75 -0.21 2.33 4.05 -0.44 -1.75 114.93 119.85 1xe3 h MET 224 Ca -0.01 -0.09 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 1xe3 h MET 224 Cb 1.18 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1xe3 h MET 224 CO 0.10 0.59 -0.33 -0.84 0.23 0.00 0.00 176.91 176.66 1xe3 h ILE 225 N 0.71 1.28 -0.43 1.77 -0.00 -1.12 -1.73 117.51 117.99 1xe3 h ILE 225 Ca 0.19 -1.40 0.03 0.00 -0.00 0.00 0.00 64.86 63.67 1xe3 h ILE 225 Cb 0.06 1.48 -0.03 0.00 -0.00 0.00 0.00 36.82 38.33 1xe3 h ILE 225 CO -0.03 0.44 0.23 -0.33 -0.00 0.00 0.00 178.15 178.46 1xe3 h GLU 226 N 0.38 0.46 -0.07 0.16 5.08 -1.05 0.88 114.58 120.41 1xe3 h GLU 226 Ca 0.05 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1xe3 h GLU 226 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xe3 h GLU 226 CO 0.06 0.30 -0.61 -0.84 -1.00 0.00 0.00 179.01 176.92 1xe3 h ILE 227 N 0.47 1.39 -0.35 3.13 3.07 -1.14 0.17 117.51 124.24 1xe3 h ILE 227 Ca 0.18 -1.99 -0.02 0.00 1.55 0.00 0.00 64.86 64.57 1xe3 h ILE 227 Cb 0.05 2.01 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 1xe3 h ILE 227 CO -0.10 0.59 0.13 0.00 -1.05 0.00 0.00 178.15 177.72 1xe3 h ALA 228 N 1.18 0.46 -0.17 0.16 0.00 -1.07 -0.89 119.26 118.92 1xe3 h ALA 228 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xe3 h ALA 228 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xe3 h ALA 228 CO 0.10 0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.41 1xe3 h LEU 229 N 0.42 0.23 -0.44 0.00 4.07 -0.61 -0.81 115.31 118.17 1xe3 h LEU 229 Ca 0.12 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 57.93 1xe3 h LEU 229 Cb 0.21 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1xe3 h LEU 229 CO -0.01 0.34 0.22 0.44 -1.08 0.00 0.00 178.44 178.36 1xe3 h ASP 230 N 0.11 0.33 -0.79 -0.43 3.45 -0.95 -2.51 116.42 115.62 1xe3 h ASP 230 Ca 0.05 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1xe3 h ASP 230 Cb 0.19 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 1xe3 h ASP 230 CO -0.00 0.24 0.49 0.00 -1.57 0.00 0.00 179.24 178.39 1xe3 h ALA 231 N 1.23 1.01 -0.37 3.45 0.00 -0.96 -3.00 119.26 120.61 1xe3 h ALA 231 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xe3 h ALA 231 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xe3 h ALA 231 CO -0.13 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.70 1xe3 h ALA 232 N 1.27 1.52 -0.03 0.00 0.00 -0.81 -3.48 119.26 117.74 1xe3 h ALA 232 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xe3 h ALA 232 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xe3 h ALA 232 CO -0.06 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.00