#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 1.41 1.01 1.57 0.00 -1.26 -4.18 119.30 117.84 1xe3 s MET 1 Ca 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 55.69 54.01 1xe3 s MET 1 Cb 0.00 -1.48 0.19 0.00 0.00 0.00 0.00 34.83 33.55 1xe3 s MET 1 CO 0.00 0.29 1.15 -1.54 0.00 0.00 0.00 175.02 174.92 1xe3 s SER 2 N -2.95 2.62 0.34 -1.18 1.04 -1.18 -4.98 113.70 107.41 1xe3 s SER 2 Ca 0.21 0.83 0.14 0.00 0.48 0.00 0.00 55.95 57.61 1xe3 s SER 2 Cb -0.05 -1.27 0.60 0.00 0.10 0.00 0.00 66.02 65.39 1xe3 s SER 2 CO 0.09 -3.09 1.72 1.62 0.98 0.00 0.00 173.24 174.56 1xe3 h VAL 3 N -1.87 1.19 -0.01 5.02 3.04 -1.99 -3.29 116.25 118.33 1xe3 h VAL 3 Ca -0.49 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 63.54 1xe3 h VAL 3 Cb 1.31 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1xe3 h VAL 3 CO 0.51 0.45 -0.06 1.41 -1.01 0.00 0.00 177.57 178.87 1xe3 n HIS 4 N -3.78 0.00 -4.01 3.17 -0.00 -1.26 -4.93 115.22 104.41 1xe3 n HIS 4 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 1xe3 n HIS 4 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.33 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 -1.04 0.58 -1.84 1.59 1.01 -1.24 -4.70 121.20 115.55 1xe3 s ILE 5 Ca 0.11 -0.08 0.16 0.00 0.00 0.00 0.00 60.65 60.84 1xe3 s ILE 5 Cb 0.09 -0.64 0.48 0.00 0.01 0.00 0.00 42.46 42.39 1xe3 s ILE 5 CO 0.17 0.26 1.39 -1.84 0.00 0.00 0.00 174.94 174.93 1xe3 n GLU 6 N 4.55 2.39 -1.77 2.79 0.28 -1.26 -3.12 120.64 124.51 1xe3 n GLU 6 Ca -0.17 -1.94 -0.40 0.00 -0.16 0.00 0.00 57.16 54.49 1xe3 n GLU 6 Cb 0.50 -1.48 0.01 0.00 1.43 0.00 0.00 31.44 31.91 1xe3 n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xe3 n ALA 7 N 0.99 2.15 -1.75 -1.84 0.00 -1.18 -4.95 120.51 113.93 1xe3 n ALA 7 Ca 0.18 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 1xe3 n ALA 7 Cb 0.50 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1xe3 n ALA 7 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xe3 s LYS 8 N -2.31 3.51 0.18 0.00 1.02 -1.26 -4.54 119.74 116.33 1xe3 s LYS 8 Ca 0.58 1.44 -0.33 0.00 0.02 0.00 0.00 55.97 57.68 1xe3 s LYS 8 Cb -0.46 -2.04 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 1xe3 s LYS 8 CO 0.60 -0.69 1.42 1.04 -0.92 0.00 0.00 175.35 176.80 1xe3 n GLN 9 N -1.32 1.79 0.00 1.68 1.13 -1.26 -1.77 117.38 117.64 1xe3 n GLN 9 Ca 0.10 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 1xe3 n GLN 9 Cb 0.52 -2.31 0.00 0.00 0.11 0.00 0.00 30.24 28.56 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 2.63 2.91 0.23 1.08 0.00 -1.26 -4.90 105.19 105.87 1xe3 n GLY 10 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 2.13 0.00 -5.10 1.61 5.08 -1.73 -3.42 114.58 113.14 1xe3 h GLU 11 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 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 0.21 -0.52 0.42 -1.00 0.00 0.00 179.01 178.13 1xe3 s ILE 12 N -4.06 5.26 0.89 3.13 1.01 -1.26 -4.67 121.20 121.49 1xe3 s ILE 12 Ca -0.02 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 1xe3 s ILE 12 Cb 0.13 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.28 1xe3 s ILE 12 CO 0.64 0.36 1.15 0.00 0.00 0.00 0.00 174.94 177.08 1xe3 s ALA 13 N 1.00 1.59 0.23 9.38 0.00 -1.26 -4.92 121.76 127.78 1xe3 s ALA 13 Ca 0.07 0.59 0.34 0.00 0.00 0.00 0.00 51.96 52.96 1xe3 s ALA 13 Cb -0.13 -3.44 1.53 0.00 0.00 0.00 0.00 23.12 21.07 1xe3 s ALA 13 CO 0.04 -2.62 2.05 0.93 0.00 0.00 0.00 175.76 176.15 1xe3 h GLU 14 N -1.71 0.00 -6.05 0.00 5.08 -1.87 -3.42 114.58 106.61 1xe3 h GLU 14 Ca -0.43 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.25 1xe3 h GLU 14 Cb 1.27 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.31 1xe3 h GLU 14 CO 0.43 0.03 -0.71 -1.12 -1.00 0.00 0.00 179.01 176.64 1xe3 s SER 15 N -5.68 4.49 -0.10 1.42 0.01 -1.26 0.26 113.70 112.84 1xe3 s SER 15 Ca -0.00 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1xe3 s SER 15 Cb 0.10 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 65.17 1xe3 s SER 15 CO 0.53 0.33 0.27 -0.51 0.41 0.00 0.00 173.24 174.27 1xe3 s ILE 16 N -0.61 -0.01 0.08 1.44 2.07 0.01 -1.75 121.20 122.43 1xe3 s ILE 16 Ca 0.09 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1xe3 s ILE 16 Cb -0.12 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 1xe3 s ILE 16 CO 0.02 0.01 0.32 -0.76 -1.91 0.00 0.00 174.94 172.62 1xe3 s LEU 17 N 0.37 4.33 -0.56 8.50 1.43 0.03 -1.38 118.68 131.39 1xe3 s LEU 17 Ca -0.02 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 1xe3 s LEU 17 Cb -0.03 -3.00 0.17 0.00 0.03 0.00 0.00 46.19 43.35 1xe3 s LEU 17 CO -0.02 0.15 0.41 -0.76 0.23 0.00 0.00 176.35 176.36 1xe3 s LEU 18 N -2.22 3.32 -0.02 1.79 1.43 0.10 -1.37 118.68 121.72 1xe3 s LEU 18 Ca 0.34 -3.42 0.06 0.00 -1.03 0.00 0.00 54.13 50.09 1xe3 s LEU 18 Cb -0.13 -1.13 0.21 0.00 0.03 0.00 0.00 46.19 45.17 1xe3 s LEU 18 CO 0.21 -0.14 1.10 -0.81 0.23 0.00 0.00 176.35 176.95 1xe3 n PRO 19 N 2.48 1.66 0.00 1.29 -0.04 -1.26 -2.61 135.00 136.53 1xe3 n PRO 19 Ca 0.22 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1xe3 n PRO 19 Cb 0.40 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1xe3 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xe3 n GLY 20 N 0.71 1.87 3.66 0.55 0.00 -1.26 -4.78 105.19 105.95 1xe3 n GLY 20 Ca 0.08 -0.23 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 1xe3 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xe3 n ASP 21 N 6.41 2.82 0.14 1.61 2.03 -1.26 -1.45 116.55 126.86 1xe3 n ASP 21 Ca 0.00 1.06 0.16 0.00 0.52 0.00 0.00 54.79 56.53 1xe3 n ASP 21 Cb 0.00 -1.33 0.73 0.00 -0.72 0.00 0.00 41.12 39.80 1xe3 n ASP 21 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xe3 h PRO 22 N 6.79 0.00 0.00 -0.67 0.13 -1.88 -0.50 132.00 135.87 1xe3 h PRO 22 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1xe3 h PRO 22 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xe3 h PRO 22 CO 0.89 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.46 1xe3 h LEU 23 N 0.00 0.00 -0.11 1.56 3.38 -1.91 -1.95 115.31 116.27 1xe3 h LEU 23 Ca 0.13 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 1xe3 h LEU 23 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1xe3 h LEU 23 CO -0.00 0.14 -0.95 0.03 0.09 0.00 0.00 178.44 177.75 1xe3 h ARG 24 N 0.00 0.60 -0.53 1.13 3.08 -1.44 -1.85 114.38 115.38 1xe3 h ARG 24 Ca -0.00 -0.61 0.06 0.00 0.07 0.00 0.00 59.98 59.50 1xe3 h ARG 24 Cb 0.87 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1xe3 h ARG 24 CO 0.02 1.22 0.24 0.00 -1.07 0.00 0.00 179.97 180.37 1xe3 h ALA 25 N 0.58 0.67 -0.46 0.04 0.00 -1.25 -0.60 119.26 118.24 1xe3 h ALA 25 Ca -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xe3 h ALA 25 Cb 1.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1xe3 h ALA 25 CO 0.18 -0.14 0.26 -0.22 0.00 0.00 0.00 179.25 179.34 1xe3 h LYS 26 N 0.45 0.64 -0.58 0.00 3.64 -1.37 -1.34 116.57 118.01 1xe3 h LYS 26 Ca 0.24 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1xe3 h LYS 26 Cb 0.21 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1xe3 h LYS 26 CO -0.20 0.49 0.34 -0.92 -2.27 0.00 0.00 179.45 176.88 1xe3 h TYR 27 N 0.61 0.63 -0.21 1.91 3.20 -1.04 -1.15 116.97 120.91 1xe3 h TYR 27 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1xe3 h TYR 27 Cb 0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1xe3 h TYR 27 CO -0.02 0.34 0.09 0.82 -1.64 0.00 0.00 178.16 177.75 1xe3 h ILE 28 N 0.66 1.15 -0.18 1.81 2.04 -0.82 -1.00 117.51 121.17 1xe3 h ILE 28 Ca 0.25 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xe3 h ILE 28 Cb 0.08 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1xe3 h ILE 28 CO -0.13 0.15 0.09 0.00 0.00 0.00 0.00 178.15 178.26 1xe3 h ALA 29 N 0.95 0.24 -0.43 1.87 0.00 -0.98 0.34 119.26 121.25 1xe3 h ALA 29 Ca 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1xe3 h ALA 29 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xe3 h ALA 29 CO -0.01 -0.21 -0.12 0.93 0.00 0.00 0.00 179.25 179.84 1xe3 h GLU 30 N 0.18 0.83 0.16 0.00 5.08 -1.22 -2.27 114.58 117.34 1xe3 h GLU 30 Ca 0.06 -0.33 -0.31 0.00 -1.00 0.00 0.00 59.36 57.79 1xe3 h GLU 30 Cb 0.10 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.34 1xe3 h GLU 30 CO -0.01 0.96 -1.30 1.15 -1.00 0.00 0.00 179.01 178.81 1xe3 h THR 31 N 0.66 1.29 0.00 1.13 2.02 -1.11 -3.40 112.91 113.49 1xe3 h THR 31 Ca 0.11 -2.53 -0.13 0.00 0.77 0.00 0.00 66.41 64.63 1xe3 h THR 31 Cb 0.66 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 1xe3 h THR 31 CO 0.05 0.76 -1.80 0.49 0.37 0.00 0.00 175.52 175.39 1xe3 n PHE 32 N -3.78 0.00 -4.15 3.16 3.72 0.10 -5.03 117.46 111.48 1xe3 n PHE 32 Ca -0.15 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.94 1xe3 n PHE 32 Cb 1.02 -0.51 -0.08 0.00 -0.94 0.00 0.00 39.48 38.97 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 -4.53 3.64 0.23 4.37 1.02 -0.85 -4.84 118.68 117.72 1xe3 s LEU 33 Ca -0.06 -0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.11 1xe3 s LEU 33 Cb 0.07 -2.23 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1xe3 s LEU 33 CO 0.58 0.22 0.33 -1.61 0.02 0.00 0.00 176.35 175.89 1xe3 s GLU 34 N -2.01 3.38 -1.29 1.70 0.41 0.09 -4.72 118.70 116.26 1xe3 s GLU 34 Ca 0.24 -0.77 -0.03 0.00 -0.41 0.00 0.00 54.97 54.00 1xe3 s GLU 34 Cb -0.12 -2.86 -0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1xe3 s GLU 34 CO 0.16 0.44 0.67 -0.25 -0.49 0.00 0.00 175.26 175.79 1xe3 n ASP 35 N -1.28 -1.86 -4.80 -0.19 8.00 -1.26 0.05 116.55 115.22 1xe3 n ASP 35 Ca -0.09 -0.88 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 1xe3 n ASP 35 Cb 0.57 -3.81 -0.06 0.00 -0.02 0.00 0.00 41.12 37.79 1xe3 n ASP 35 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xe3 s VAL 36 N -3.69 4.69 -0.04 2.53 -7.23 -1.26 -4.44 120.40 110.96 1xe3 s VAL 36 Ca 0.09 1.30 0.05 0.00 -1.81 0.00 0.00 61.98 61.62 1xe3 s VAL 36 Cb -0.03 -3.94 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1xe3 s VAL 36 CO 0.83 0.54 -0.20 -0.89 -0.31 0.00 0.00 175.10 175.07 1xe3 s THR 37 N -1.05 2.57 -0.40 5.32 2.01 0.13 -4.99 115.64 119.24 1xe3 s THR 37 Ca 0.30 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 1xe3 s THR 37 Cb -0.20 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1xe3 s THR 37 CO 0.20 0.58 0.50 0.00 -0.69 0.00 0.00 174.62 175.22 1xe3 n TYR 39 N 5.79 0.00 -3.76 0.00 0.18 -0.03 -4.91 117.16 114.43 1xe3 n TYR 39 Ca -0.05 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.60 1xe3 n TYR 39 Cb 0.48 -0.07 -0.12 0.00 -0.38 0.00 0.00 39.34 39.25 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 -2.91 -0.27 0.00 9.48 2.47 -1.18 -3.11 114.94 119.43 1xe3 s ASN 40 Ca 0.11 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.90 1xe3 s ASN 40 Cb 0.17 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.44 1xe3 s ASN 40 CO 0.77 -0.12 0.61 -3.20 -3.72 0.00 0.00 177.10 171.44 1xe3 n ASN 41 N 3.53 0.79 -4.72 -4.21 5.15 -1.26 -2.86 115.26 111.67 1xe3 n ASN 41 Ca -0.18 -1.34 -0.42 0.00 -0.60 0.00 0.00 54.58 52.03 1xe3 n ASN 41 Cb 0.56 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.78 1xe3 n ASN 41 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1xe3 n VAL 42 N -0.17 0.10 -1.84 3.44 3.14 -1.26 -0.35 118.33 121.38 1xe3 n VAL 42 Ca 0.00 -0.02 -0.19 0.00 -2.96 0.00 0.00 64.34 61.16 1xe3 n VAL 42 Cb 0.33 -1.99 -0.06 0.00 -1.06 0.00 0.00 33.84 31.07 1xe3 n VAL 42 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xe3 n ARG 43 N 3.81 -1.54 -1.84 1.45 1.74 -1.26 -1.55 116.66 117.45 1xe3 n ARG 43 Ca 0.15 1.07 -0.16 0.00 -0.77 0.00 0.00 57.85 58.15 1xe3 n ARG 43 Cb 0.35 -5.53 -0.04 0.00 -1.02 0.00 0.00 32.46 26.22 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 -0.56 0.69 3.38 -0.13 0.00 0.52 -4.90 105.19 104.20 1xe3 n GLY 44 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 3.43 -1.71 1.61 0.00 -0.60 -4.82 117.12 112.66 1xe3 n MET 45 Ca -0.17 -3.89 -0.43 0.00 0.00 0.00 0.00 57.70 53.22 1xe3 n MET 45 Cb 0.57 -2.97 -0.02 0.00 0.00 0.00 0.00 33.22 30.80 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 3.72 -3.91 -0.89 4.77 -1.26 -4.61 117.00 119.90 1xe3 n LEU 46 Ca 0.36 1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 57.34 1xe3 n LEU 46 Cb 0.41 -1.51 -0.15 0.00 -2.33 0.00 0.00 43.42 39.85 1xe3 n LEU 46 CO 0.63 -0.25 -0.40 -0.83 -1.33 0.00 0.00 177.39 175.22 1xe3 s GLY 47 N 0.18 0.29 0.08 -0.72 0.00 -1.14 -1.13 107.32 104.88 1xe3 s GLY 47 Ca 0.63 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.31 1xe3 s GLY 47 CO 0.53 0.12 -0.15 -1.36 0.00 0.00 0.00 173.10 172.24 1xe3 s PHE 48 N 0.34 1.31 -0.07 1.90 0.40 0.01 -0.85 117.98 121.02 1xe3 s PHE 48 Ca -0.04 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 1xe3 s PHE 48 Cb -0.07 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1xe3 s PHE 48 CO -0.00 0.08 -0.19 0.99 0.70 0.00 0.00 175.22 176.80 1xe3 s THR 49 N -1.34 1.67 0.00 0.64 2.01 -0.21 -1.12 115.64 117.30 1xe3 s THR 49 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1xe3 s THR 49 Cb -0.10 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.96 1xe3 s THR 49 CO 0.03 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1xe3 n GLY 50 N 3.46 3.39 3.32 4.40 0.00 -0.51 -0.69 105.19 118.56 1xe3 n GLY 50 Ca -0.20 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.31 2.01 -0.08 2.61 -1.32 0.11 -1.55 115.64 115.10 1xe3 s THR 51 Ca 0.00 -1.35 -0.03 0.00 -1.21 0.00 0.00 61.69 59.10 1xe3 s THR 51 Cb 0.00 -1.73 0.05 0.00 -1.51 0.00 0.00 72.50 69.31 1xe3 s THR 51 CO 0.00 0.31 0.16 -0.47 -2.21 0.00 0.00 174.62 172.41 1xe3 s TYR 52 N -0.81 -0.17 -1.43 9.09 5.04 -0.00 -0.73 117.35 128.33 1xe3 s TYR 52 Ca 0.11 0.60 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 1xe3 s TYR 52 Cb -0.10 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 41.95 1xe3 s TYR 52 CO 0.02 -0.27 0.30 1.63 -1.34 0.00 0.00 175.55 175.89 1xe3 n LYS 53 N 5.32 -2.27 -1.11 4.97 5.02 -1.26 -1.49 118.16 127.34 1xe3 n LYS 53 Ca -0.05 0.29 -0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1xe3 n LYS 53 Cb 0.50 -4.10 -0.02 0.00 -0.02 0.00 0.00 35.03 31.39 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 -2.18 0.54 3.29 0.72 0.00 -1.26 -4.98 105.19 101.32 1xe3 n GLY 54 Ca -0.30 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.83 2.07 0.36 1.61 -0.14 -0.56 -5.11 119.74 116.14 1xe3 s LYS 55 Ca 0.00 -0.90 -0.26 0.00 -1.36 0.00 0.00 55.97 53.45 1xe3 s LYS 55 Cb 0.00 -1.99 -0.09 0.00 -1.68 0.00 0.00 37.83 34.07 1xe3 s LYS 55 CO 0.00 0.53 1.09 1.03 -0.76 0.00 0.00 175.35 177.24 1xe3 s ARG 56 N -0.56 4.30 -0.17 1.68 1.81 -1.26 -0.82 118.95 123.92 1xe3 s ARG 56 Ca 0.09 1.68 -0.28 0.00 -1.72 0.00 0.00 55.73 55.50 1xe3 s ARG 56 Cb -0.10 -2.79 0.10 0.00 -0.45 0.00 0.00 34.95 31.71 1xe3 s ARG 56 CO -0.01 -0.06 0.85 0.54 -0.68 0.00 0.00 175.30 175.94 1xe3 s VAL 57 N -1.44 0.00 0.22 3.52 0.11 -0.59 -4.78 120.40 117.44 1xe3 s VAL 57 Ca 0.53 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.68 1xe3 s VAL 57 Cb -0.27 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1xe3 s VAL 57 CO 0.35 0.00 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.54 1xe3 s SER 58 N -0.55 3.98 -0.04 3.54 0.01 -0.72 -1.43 113.70 118.49 1xe3 s SER 58 Ca -0.03 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 1xe3 s SER 58 Cb -0.02 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.69 1xe3 s SER 58 CO 0.03 0.07 0.04 -0.69 0.41 0.00 0.00 173.24 173.10 1xe3 s VAL 59 N -2.02 0.01 -0.14 3.43 1.01 -0.27 -0.79 120.40 121.64 1xe3 s VAL 59 Ca 0.27 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 1xe3 s VAL 59 Cb -0.07 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1xe3 s VAL 59 CO 0.15 0.18 -0.05 -1.58 0.00 0.00 0.00 175.10 173.80 1xe3 s GLN 60 N 1.91 1.37 0.34 2.72 2.00 -0.47 -0.81 119.66 126.73 1xe3 s GLN 60 Ca 0.02 -0.35 -0.29 0.00 -2.00 0.00 0.00 55.36 52.74 1xe3 s GLN 60 Cb -0.12 -1.76 -0.11 0.00 0.80 0.00 0.00 33.01 31.82 1xe3 s GLN 60 CO -0.03 -0.36 1.48 0.20 -0.50 0.00 0.00 175.29 176.07 1xe3 s GLY 61 N 1.70 2.74 0.33 2.59 0.00 -0.28 -4.01 107.32 110.39 1xe3 s GLY 61 Ca 0.03 1.51 0.07 0.00 0.00 0.00 0.00 44.72 46.33 1xe3 s GLY 61 CO -0.08 2.27 -0.04 -0.51 0.00 0.00 0.00 173.10 174.74 1xe3 s THR 62 N -0.82 1.83 0.00 0.90 -4.23 -0.53 -4.79 115.64 108.00 1xe3 s THR 62 Ca 0.55 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1xe3 s THR 62 Cb -0.45 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1xe3 s THR 62 CO 0.57 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1xe3 n GLY 63 N -0.73 0.21 3.73 3.99 0.00 -1.26 -4.15 105.19 106.97 1xe3 n GLY 63 Ca -0.05 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.21 4.23 0.00 1.61 -1.94 -1.26 -4.53 119.30 117.20 1xe3 s MET 64 Ca 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1xe3 s MET 64 Cb 0.00 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.41 1xe3 s MET 64 CO 0.00 0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.68 1xe3 n GLY 65 N 3.45 2.48 0.32 -0.03 0.00 -1.24 -4.50 105.19 105.68 1xe3 n GLY 65 Ca -0.13 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 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 0.23 -0.79 1.61 2.07 -1.67 -1.97 116.25 115.73 1xe3 h VAL 66 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1xe3 h VAL 66 Cb 0.00 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 1xe3 h VAL 66 CO 0.00 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.44 1xe3 h PRO 67 N -0.18 0.95 0.36 1.57 0.11 -1.91 0.08 132.00 132.98 1xe3 h PRO 67 Ca 0.21 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xe3 h PRO 67 Cb 0.53 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1xe3 h PRO 67 CO -0.61 0.63 -0.17 1.03 -0.21 0.00 0.00 178.00 178.67 1xe3 h SER 68 N 0.98 -0.41 0.05 -2.05 0.87 -1.70 -2.80 113.55 108.49 1xe3 h SER 68 Ca 0.32 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1xe3 h SER 68 Cb 0.01 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1xe3 h SER 68 CO -0.11 -0.10 -0.11 -0.29 -0.53 0.00 0.00 176.83 175.69 1xe3 h ILE 69 N -0.73 1.14 -0.79 2.23 2.10 -1.33 -2.60 117.51 117.53 1xe3 h ILE 69 Ca -0.05 -0.60 -0.05 0.00 1.08 0.00 0.00 64.86 65.24 1xe3 h ILE 69 Cb 0.50 1.19 -0.03 0.00 -1.09 0.00 0.00 36.82 37.38 1xe3 h ILE 69 CO 0.08 0.19 0.30 0.28 -1.08 0.00 0.00 178.15 177.91 1xe3 h SER 70 N 0.14 1.10 0.12 2.19 0.02 -0.92 0.08 113.55 116.28 1xe3 h SER 70 Ca 0.03 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1xe3 h SER 70 Cb 0.29 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1xe3 h SER 70 CO 0.02 0.98 -0.16 0.40 -1.14 0.00 0.00 176.83 176.93 1xe3 h ILE 71 N 1.15 0.63 -0.37 3.27 2.04 -1.20 -0.88 117.51 122.16 1xe3 h ILE 71 Ca 0.26 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.99 1xe3 h ILE 71 Cb 0.24 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1xe3 h ILE 71 CO -0.02 0.00 -0.26 1.88 0.00 0.00 0.00 178.15 179.75 1xe3 h TYR 72 N -0.33 0.97 -0.13 1.37 -1.99 -1.34 -2.41 116.97 113.11 1xe3 h TYR 72 Ca 0.02 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.46 1xe3 h TYR 72 Cb 0.33 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 1xe3 h TYR 72 CO -0.16 1.04 -0.01 0.28 -0.00 0.00 0.00 178.16 179.32 1xe3 h VAL 73 N 0.62 1.26 -0.77 -2.88 2.07 -0.97 -0.15 116.25 115.42 1xe3 h VAL 73 Ca 0.07 -0.85 0.18 0.00 0.82 0.00 0.00 66.70 66.92 1xe3 h VAL 73 Cb 0.83 1.56 -0.12 0.00 -1.52 0.00 0.00 31.29 32.04 1xe3 h VAL 73 CO 0.07 0.25 0.13 0.78 0.02 0.00 0.00 177.57 178.82 1xe3 h ASN 74 N -0.04 -0.11 -0.26 0.57 -0.26 -1.16 -1.79 115.58 112.54 1xe3 h ASN 74 Ca 0.04 0.17 -0.19 0.00 -0.56 0.00 0.00 56.30 55.76 1xe3 h ASN 74 Cb 0.38 0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1xe3 h ASN 74 CO 0.01 -0.11 -0.56 -0.33 -1.06 0.00 0.00 177.43 175.37 1xe3 h GLU 75 N 0.20 0.86 -0.37 0.81 5.08 -1.05 -1.34 114.58 118.77 1xe3 h GLU 75 Ca 0.45 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1xe3 h GLU 75 Cb 0.81 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1xe3 h GLU 75 CO -0.60 1.18 0.14 -0.07 -1.00 0.00 0.00 179.01 178.67 1xe3 h LEU 76 N 0.65 0.51 0.17 1.33 3.38 -0.59 0.04 115.31 120.80 1xe3 h LEU 76 Ca 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xe3 h LEU 76 Cb 1.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1xe3 h LEU 76 CO 0.12 0.55 -0.08 0.40 0.09 0.00 0.00 178.44 179.52 1xe3 h ILE 77 N 0.44 0.92 0.01 1.22 2.04 -1.38 -2.08 117.51 118.67 1xe3 h ILE 77 Ca 0.12 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 1xe3 h ILE 77 Cb 0.20 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xe3 h ILE 77 CO -0.01 0.21 -0.38 -0.61 0.00 0.00 0.00 178.15 177.35 1xe3 h GLN 78 N -0.75 0.25 0.00 2.37 5.75 -1.27 -2.04 115.11 119.42 1xe3 h GLN 78 Ca -0.02 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.10 1xe3 h GLN 78 Cb 0.52 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1xe3 h GLN 78 CO 0.04 1.00 -1.51 0.43 -2.65 0.00 0.00 178.83 176.14 1xe3 n SER 79 N -4.40 0.59 0.00 -0.69 7.64 -0.02 -4.58 113.62 112.16 1xe3 n SER 79 Ca -0.10 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1xe3 n SER 79 Cb 0.57 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 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 -2.67 0.00 -2.33 1.43 4.01 -0.92 -4.95 117.16 111.72 1xe3 n TYR 80 Ca -0.08 -0.18 -0.16 0.00 -0.16 0.00 0.00 57.90 57.33 1xe3 n TYR 80 Cb 0.72 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.18 -0.28 3.73 2.72 0.00 -0.77 -4.85 105.19 105.57 1xe3 n GLY 81 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.80 4.12 -0.08 1.61 1.01 -0.99 -4.75 120.40 118.52 1xe3 s VAL 82 Ca 0.01 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1xe3 s VAL 82 Cb -0.01 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1xe3 s VAL 82 CO 0.02 0.30 0.00 0.29 0.00 0.00 0.00 175.10 175.71 1xe3 n LYS 83 N 2.54 2.25 -3.94 2.72 4.76 0.14 -4.56 118.16 122.08 1xe3 n LYS 83 Ca 0.03 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.21 1xe3 n LYS 83 Cb 0.47 -1.19 -0.17 0.00 -1.84 0.00 0.00 35.03 32.30 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 -4.12 2.12 -0.19 4.39 0.01 -0.51 -1.05 114.94 115.58 1xe3 s ASN 84 Ca -0.06 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1xe3 s ASN 84 Cb 0.02 -0.82 0.05 0.00 0.41 0.00 0.00 41.25 40.91 1xe3 s ASN 84 CO 0.29 -0.11 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.92 1xe3 s LEU 85 N 1.66 2.11 -0.25 0.60 1.02 0.10 -0.81 118.68 123.10 1xe3 s LEU 85 Ca 0.04 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.33 1xe3 s LEU 85 Cb -0.13 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 45.00 1xe3 s LEU 85 CO -0.07 -0.17 -0.09 -0.63 0.02 0.00 0.00 176.35 175.41 1xe3 s ILE 86 N 1.47 2.55 -0.12 -0.59 1.01 -0.48 -2.14 121.20 122.90 1xe3 s ILE 86 Ca -0.01 -1.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1xe3 s ILE 86 Cb -0.16 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1xe3 s ILE 86 CO -0.08 0.13 1.12 -0.60 0.00 0.00 0.00 174.94 175.51 1xe3 s ARG 87 N 1.24 4.34 -0.19 2.79 6.06 0.19 -0.72 118.95 132.66 1xe3 s ARG 87 Ca -0.03 1.52 0.01 0.00 -2.50 0.00 0.00 55.73 54.73 1xe3 s ARG 87 Cb -0.18 -3.60 0.02 0.00 0.06 0.00 0.00 34.95 31.25 1xe3 s ARG 87 CO -0.05 -0.47 -0.18 0.14 -2.50 0.00 0.00 175.30 172.24 1xe3 s VAL 88 N 2.51 2.22 0.00 7.11 -7.23 -1.07 -0.04 120.40 123.89 1xe3 s VAL 88 Ca 0.51 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1xe3 s VAL 88 Cb -0.20 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1xe3 s VAL 88 CO 0.17 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 176.07 1xe3 n GLY 89 N 4.63 3.30 3.52 2.32 0.00 -0.80 -4.16 105.19 114.00 1xe3 n GLY 89 Ca -0.20 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.62 1.56 0.16 2.61 -4.23 -1.26 -1.01 115.64 110.85 1xe3 s THR 90 Ca 0.00 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 1xe3 s THR 90 Cb 0.00 -2.85 0.04 0.00 1.34 0.00 0.00 72.50 71.03 1xe3 s THR 90 CO 0.00 -0.02 0.48 0.00 -0.54 0.00 0.00 174.62 174.54 1xe3 s GLY 92 N -2.82 1.83 0.32 0.00 0.00 -0.54 -1.31 107.32 104.79 1xe3 s GLY 92 Ca 0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1xe3 s GLY 92 CO -0.09 0.38 1.46 0.00 0.00 0.00 0.00 173.10 174.85 1xe3 s ALA 93 N 1.21 3.61 0.00 3.20 0.00 0.37 -0.50 121.76 129.64 1xe3 s ALA 93 Ca 0.05 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1xe3 s ALA 93 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1xe3 s ALA 93 CO 0.04 -0.87 0.29 0.44 0.00 0.00 0.00 175.76 175.65 1xe3 n ILE 94 N 1.39 0.00 -4.26 0.00 -5.35 -0.34 -1.90 119.36 108.90 1xe3 n ILE 94 Ca 0.04 -0.41 -0.35 0.00 -0.27 0.00 0.00 62.75 61.76 1xe3 n ILE 94 Cb 0.40 1.13 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.25 3.23 0.50 6.28 -0.44 -1.21 -4.17 119.66 123.60 1xe3 s GLN 95 Ca 0.00 -0.37 0.21 0.00 -2.50 0.00 0.00 55.36 52.70 1xe3 s GLN 95 Cb 0.00 -2.91 1.29 0.00 -1.64 0.00 0.00 33.01 29.74 1xe3 s GLN 95 CO 0.00 0.63 2.07 1.57 0.50 0.00 0.00 175.29 180.05 1xe3 h LYS 96 N 5.44 0.00 -0.23 1.67 2.10 -1.94 -2.57 116.57 121.04 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 0.58 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.90 1xe3 n ASP 97 N -4.05 2.59 -4.76 7.07 8.00 -1.26 -4.95 116.55 119.18 1xe3 n ASP 97 Ca -0.02 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.26 1xe3 n ASP 97 Cb 0.21 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.98 3.41 0.11 2.53 1.01 -0.97 -5.05 120.40 120.47 1xe3 s VAL 98 Ca 0.20 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.64 1xe3 s VAL 98 Cb 0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1xe3 s VAL 98 CO 0.15 0.29 -0.17 -0.54 0.00 0.00 0.00 175.10 174.84 1xe3 s LYS 99 N -1.63 1.85 0.59 2.72 -0.14 -1.26 -4.93 119.74 116.94 1xe3 s LYS 99 Ca 0.47 -1.14 -0.20 0.00 -1.36 0.00 0.00 55.97 53.73 1xe3 s LYS 99 Cb -0.32 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 1xe3 s LYS 99 CO 0.41 0.49 1.32 0.14 -0.76 0.00 0.00 175.35 176.94 1xe3 s VAL 100 N -1.14 2.13 0.00 3.17 -7.23 -1.26 -1.92 120.40 114.15 1xe3 s VAL 100 Ca 0.18 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1xe3 s VAL 100 Cb -0.11 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1xe3 s VAL 100 CO 0.10 -0.01 0.00 0.54 -0.31 0.00 0.00 175.10 175.42 1xe3 n ARG 101 N -1.40 0.00 -1.75 4.82 1.74 0.51 -4.97 116.66 115.60 1xe3 n ARG 101 Ca 0.13 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 1xe3 n ARG 101 Cb 0.47 -2.60 0.03 0.00 -1.02 0.00 0.00 32.46 29.33 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 3.09 -4.39 0.55 8.00 -0.81 -4.56 116.55 118.43 1xe3 n ASP 102 Ca 0.00 1.08 -0.35 0.00 0.71 0.00 0.00 54.79 56.23 1xe3 n ASP 102 Cb 0.00 -1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 39.38 1xe3 n ASP 102 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xe3 s VAL 103 N -1.22 3.60 -0.16 2.53 -7.23 -0.37 -0.36 120.40 117.19 1xe3 s VAL 103 Ca 0.64 -0.43 -0.06 0.00 -1.81 0.00 0.00 61.98 60.32 1xe3 s VAL 103 Cb -0.44 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1xe3 s VAL 103 CO 0.55 0.45 0.04 -0.63 -0.31 0.00 0.00 175.10 175.19 1xe3 s ILE 104 N 1.02 4.57 -0.30 -0.62 1.01 0.11 -0.59 121.20 126.40 1xe3 s ILE 104 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1xe3 s ILE 104 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1xe3 s ILE 104 CO 0.01 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.86 1xe3 s ILE 105 N 0.13 3.61 -0.36 2.92 1.01 -0.31 -0.65 121.20 127.55 1xe3 s ILE 105 Ca 0.03 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.46 1xe3 s ILE 105 Cb -0.13 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1xe3 s ILE 105 CO 0.01 0.01 0.99 0.00 0.00 0.00 0.00 174.94 175.95 1xe3 s ALA 106 N 1.41 3.41 0.10 9.38 0.00 -0.97 -2.46 121.76 132.63 1xe3 s ALA 106 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1xe3 s ALA 106 Cb -0.18 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.14 1xe3 s ALA 106 CO 0.01 -1.63 1.22 1.98 0.00 0.00 0.00 175.76 177.34 1xe3 h MET 107 N 8.44 0.50 -2.94 0.00 4.05 -0.65 -3.41 114.93 120.91 1xe3 h MET 107 Ca -0.22 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 58.61 1xe3 h MET 107 Cb 1.07 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1xe3 h MET 107 CO 1.01 1.22 0.31 -0.08 0.23 0.00 0.00 176.91 179.61 1xe3 s THR 108 N -3.15 0.00 -0.02 -0.77 -1.32 -1.25 -1.61 115.64 107.53 1xe3 s THR 108 Ca -0.07 -0.95 -0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1xe3 s THR 108 Cb 0.08 -2.88 0.03 0.00 -1.51 0.00 0.00 72.50 68.21 1xe3 s THR 108 CO 0.89 0.00 0.03 0.00 -2.21 0.00 0.00 174.62 173.34 1xe3 s ALA 109 N -2.30 0.05 0.67 11.08 0.00 -1.25 -2.85 121.76 127.16 1xe3 s ALA 109 Ca 0.16 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1xe3 s ALA 109 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1xe3 s ALA 109 CO 0.11 -0.10 1.05 0.00 0.00 0.00 0.00 175.76 176.82 1xe3 s THR 111 N -3.13 0.03 -2.37 0.00 -1.32 -1.26 -0.04 115.64 107.54 1xe3 s THR 111 Ca 0.57 -0.22 0.22 0.00 -1.21 0.00 0.00 61.69 61.04 1xe3 s THR 111 Cb -0.12 -0.90 0.37 0.00 -1.51 0.00 0.00 72.50 70.33 1xe3 s THR 111 CO 0.54 -0.12 1.34 -0.90 -2.21 0.00 0.00 174.62 173.27 1xe3 n ASP 112 N 0.77 3.29 -4.78 8.08 5.75 -1.17 -4.98 116.55 123.51 1xe3 n ASP 112 Ca -0.19 -1.96 -0.35 0.00 -0.01 0.00 0.00 54.79 52.27 1xe3 n ASP 112 Cb 0.58 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.48 6.27 0.00 -1.12 0.15 -1.26 -4.84 113.70 111.42 1xe3 s SER 113 Ca 0.35 2.08 0.28 0.00 0.70 0.00 0.00 55.95 59.36 1xe3 s SER 113 Cb 0.21 -2.58 1.09 0.00 -1.71 0.00 0.00 66.02 63.03 1xe3 s SER 113 CO 0.29 -0.84 1.77 -3.20 1.20 0.00 0.00 173.24 172.47 1xe3 n ASN 114 N -0.74 1.33 -0.16 5.45 5.15 -1.26 -4.59 115.26 120.45 1xe3 n ASN 114 Ca 0.08 -1.40 -0.03 0.00 -0.60 0.00 0.00 54.58 52.64 1xe3 n ASN 114 Cb 0.51 0.01 0.06 0.00 -0.53 0.00 0.00 39.78 39.83 1xe3 n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xe3 h MET 115 N 2.06 0.33 0.03 1.20 -0.00 -2.00 -2.08 114.93 114.47 1xe3 h MET 115 Ca 0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.70 59.46 1xe3 h MET 115 Cb 0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 31.97 1xe3 h MET 115 CO 0.00 0.22 -1.03 -0.91 -0.00 0.00 0.00 176.91 175.19 1xe3 h ASN 116 N 0.34 0.14 -0.97 -0.10 -0.26 -1.97 -3.19 115.58 109.55 1xe3 h ASN 116 Ca 0.24 -0.14 0.20 0.00 -0.56 0.00 0.00 56.30 56.04 1xe3 h ASN 116 Cb 0.26 -0.04 -0.11 0.00 -1.06 0.00 0.00 38.32 37.36 1xe3 h ASN 116 CO -0.25 1.07 0.56 0.03 -1.06 0.00 0.00 177.43 177.79 1xe3 h ARG 117 N 0.03 0.65 -0.15 0.81 2.47 -1.67 -0.16 114.38 116.37 1xe3 h ARG 117 Ca -0.04 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.48 1xe3 h ARG 117 Cb 1.76 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 1xe3 h ARG 117 CO 0.15 0.43 -0.57 -0.07 0.56 0.00 0.00 179.97 180.47 1xe3 h LEU 118 N 0.67 0.52 -0.47 3.04 3.38 -1.44 -2.74 115.31 118.29 1xe3 h LEU 118 Ca 0.58 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 1xe3 h LEU 118 Cb 0.95 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xe3 h LEU 118 CO -0.41 0.98 -0.75 0.74 0.09 0.00 0.00 178.44 179.09 1xe3 h THR 119 N 0.35 1.47 -2.09 0.22 2.02 -1.36 -3.38 112.91 110.14 1xe3 h THR 119 Ca 0.00 -2.39 -0.57 0.00 0.77 0.00 0.00 66.41 64.22 1xe3 h THR 119 Cb 1.10 2.29 -0.40 0.00 -1.74 0.00 0.00 68.15 69.41 1xe3 h THR 119 CO 0.10 0.69 -0.99 0.49 0.37 0.00 0.00 175.52 176.19 1xe3 n PHE 120 N -3.73 0.44 -1.68 3.16 3.01 -0.15 -5.11 117.46 113.40 1xe3 n PHE 120 Ca -0.02 -3.67 -0.46 0.00 1.01 0.00 0.00 57.45 54.31 1xe3 n PHE 120 Cb 0.72 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.81 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 1.44 2.26 -0.56 -1.08 -0.02 -1.04 -1.40 135.00 134.60 1xe3 n PRO 121 Ca 0.23 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1xe3 n PRO 121 Cb 0.50 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.76 0.76 3.41 -1.23 0.00 -1.26 -5.05 105.19 105.59 1xe3 n GLY 122 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.84 2.49 -0.47 1.61 0.40 -0.49 -5.09 117.98 113.59 1xe3 s PHE 123 Ca 0.00 -0.31 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1xe3 s PHE 123 Cb 0.00 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 42.09 1xe3 s PHE 123 CO 0.00 0.17 0.84 -0.51 0.70 0.00 0.00 175.22 176.42 1xe3 s ASP 124 N -1.18 6.42 -0.19 1.36 1.01 -1.26 -4.70 116.67 118.12 1xe3 s ASP 124 Ca 0.13 -0.12 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 1xe3 s ASP 124 Cb -0.10 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1xe3 s ASP 124 CO 0.03 -1.00 0.59 0.12 0.21 0.00 0.00 175.17 175.12 1xe3 s PHE 125 N 3.49 3.38 -0.44 4.23 5.36 -1.26 -5.04 117.98 127.70 1xe3 s PHE 125 Ca 0.31 0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 57.15 1xe3 s PHE 125 Cb -0.12 -2.75 0.12 0.00 -0.34 0.00 0.00 43.02 39.92 1xe3 s PHE 125 CO 0.23 -0.14 0.23 0.00 -1.46 0.00 0.00 175.22 174.07 1xe3 s ALA 126 N 1.78 3.20 0.08 11.12 0.00 -1.26 -5.02 121.76 131.66 1xe3 s ALA 126 Ca 0.27 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.25 1xe3 s ALA 126 Cb -0.16 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1xe3 s ALA 126 CO 0.10 -1.85 1.16 -1.25 0.00 0.00 0.00 175.76 173.92 1xe3 s PRO 127 N 0.88 4.48 0.06 0.00 0.04 -1.26 -4.99 135.00 134.21 1xe3 s PRO 127 Ca 0.10 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 1xe3 s PRO 127 Cb -0.22 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 1xe3 s PRO 127 CO -0.04 -0.16 0.27 0.00 0.04 0.00 0.00 177.00 177.11 1xe3 s ALA 128 N 0.76 3.89 0.81 8.56 0.00 -1.26 -3.84 121.76 130.68 1xe3 s ALA 128 Ca 0.56 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1xe3 s ALA 128 Cb -0.29 -1.99 0.08 0.00 0.00 0.00 0.00 23.12 20.92 1xe3 s ALA 128 CO 0.30 0.72 1.16 0.00 0.00 0.00 0.00 175.76 177.95 1xe3 s ALA 129 N -1.47 1.88 0.04 0.00 0.00 -0.63 -4.90 121.76 116.68 1xe3 s ALA 129 Ca 0.34 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 1xe3 s ALA 129 Cb -0.13 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1xe3 s ALA 129 CO 0.23 -2.21 1.49 1.21 0.00 0.00 0.00 175.76 176.47 1xe3 s ASN 130 N -2.49 6.76 0.21 0.00 2.47 -0.33 -4.93 114.94 116.62 1xe3 s ASN 130 Ca 0.69 2.28 -0.03 0.00 0.42 0.00 0.00 52.86 56.22 1xe3 s ASN 130 Cb -0.25 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.15 1xe3 s ASN 130 CO 0.52 -0.77 1.57 0.15 -3.72 0.00 0.00 177.10 174.84 1xe3 h PHE 131 N 7.85 0.74 -0.33 0.43 3.57 -1.94 -1.71 116.94 125.55 1xe3 h PHE 131 Ca -0.40 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 60.86 1xe3 h PHE 131 Cb 1.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1xe3 h PHE 131 CO 0.75 0.93 0.13 -0.44 -2.23 0.00 0.00 178.31 177.45 1xe3 h ASP 132 N 0.51 0.46 -0.17 0.41 3.32 -1.98 0.13 116.42 119.10 1xe3 h ASP 132 Ca 0.04 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1xe3 h ASP 132 Cb 0.93 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1xe3 h ASP 132 CO 0.08 0.51 0.02 -0.07 -1.72 0.00 0.00 179.24 178.06 1xe3 h LEU 133 N 0.38 -0.03 -0.48 1.55 3.38 -1.91 -2.10 115.31 116.10 1xe3 h LEU 133 Ca 0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xe3 h LEU 133 Cb 0.19 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1xe3 h LEU 133 CO -0.01 0.01 0.25 0.25 0.09 0.00 0.00 178.44 179.04 1xe3 h LEU 134 N 0.08 0.38 -0.41 1.67 6.46 -0.85 -0.42 115.31 122.21 1xe3 h LEU 134 Ca 0.08 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.75 1xe3 h LEU 134 Cb 0.08 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1xe3 h LEU 134 CO -0.12 0.26 -0.18 0.50 -0.62 0.00 0.00 178.44 178.29 1xe3 h LYS 135 N 0.50 0.84 -0.19 1.25 3.11 -0.70 0.01 116.57 121.40 1xe3 h LYS 135 Ca 0.21 -0.36 0.04 0.00 -2.81 0.00 0.00 60.65 57.73 1xe3 h LYS 135 Cb 0.10 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 1xe3 h LYS 135 CO -0.13 1.00 -0.07 0.87 -2.81 0.00 0.00 179.45 178.30 1xe3 h LYS 136 N 0.66 -0.03 -0.45 1.90 1.57 -1.10 -0.83 116.57 118.29 1xe3 h LYS 136 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xe3 h LYS 136 Cb 0.73 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1xe3 h LYS 136 CO 0.06 -0.02 0.29 0.00 -0.57 0.00 0.00 179.45 179.20 1xe3 h ALA 137 N 1.15 0.57 0.26 3.86 0.00 -0.93 -0.27 119.26 123.89 1xe3 h ALA 137 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xe3 h ALA 137 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xe3 h ALA 137 CO -0.22 0.05 -0.18 -0.92 0.00 0.00 0.00 179.25 177.98 1xe3 h TYR 138 N 0.61 -0.46 -0.24 0.00 3.20 -0.86 0.56 116.97 119.76 1xe3 h TYR 138 Ca 0.16 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1xe3 h TYR 138 Cb -0.04 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1xe3 h TYR 138 CO -0.04 -0.28 0.03 -0.44 -1.64 0.00 0.00 178.16 175.80 1xe3 h ASP 139 N -0.43 -0.03 -0.49 -2.11 3.32 -0.96 0.30 116.42 116.02 1xe3 h ASP 139 Ca -0.02 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1xe3 h ASP 139 Cb 0.37 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xe3 h ASP 139 CO 0.01 0.02 -0.20 0.00 -1.72 0.00 0.00 179.24 177.34 1xe3 h ALA 140 N 1.19 0.68 -0.63 3.45 0.00 -0.99 -1.42 119.26 121.54 1xe3 h ALA 140 Ca 0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1xe3 h ALA 140 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xe3 h ALA 140 CO -0.16 0.66 0.05 0.78 0.00 0.00 0.00 179.25 180.57 1xe3 h GLY 141 N 0.85 1.17 1.14 0.00 0.00 -0.76 -2.44 103.07 103.03 1xe3 h GLY 141 Ca 0.11 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 1xe3 h GLY 141 CO 0.06 0.76 0.11 -0.91 0.00 0.00 0.00 176.54 176.56 1xe3 h THR 142 N 0.99 1.26 -0.35 4.70 1.35 -0.73 -2.36 112.91 117.76 1xe3 h THR 142 Ca 0.18 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.03 1xe3 h THR 142 Cb 0.51 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 1xe3 h THR 142 CO 0.02 0.38 0.19 -0.33 -0.25 0.00 0.00 175.52 175.53 1xe3 h GLU 143 N 0.99 0.48 -0.02 4.72 4.39 -1.05 -2.02 114.58 122.07 1xe3 h GLU 143 Ca 0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xe3 h GLU 143 Cb 0.42 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1xe3 h GLU 143 CO 0.01 0.36 0.00 1.63 -1.16 0.00 0.00 179.01 179.85 1xe3 n LYS 144 N -4.44 1.24 -1.44 2.33 4.76 -0.94 -4.93 118.16 114.74 1xe3 n LYS 144 Ca 0.02 -0.36 -0.06 0.00 -2.87 0.00 0.00 58.31 55.04 1xe3 n LYS 144 Cb 0.10 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1xe3 n LYS 144 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xe3 n GLY 145 N 1.01 0.66 3.79 0.72 0.00 -0.76 -5.02 105.19 105.59 1xe3 n GLY 145 Ca 0.19 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.56 3.88 -1.44 0.99 1.43 -0.92 -4.92 118.68 116.14 1xe3 s LEU 146 Ca 0.00 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1xe3 s LEU 146 Cb 0.00 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.76 1xe3 s LEU 146 CO 0.00 -0.79 2.30 1.41 0.23 0.00 0.00 176.35 179.49 1xe3 n HIS 147 N -0.88 3.09 -2.77 0.29 8.25 -1.26 -4.70 115.22 117.24 1xe3 n HIS 147 Ca 0.09 -2.94 -0.41 0.00 -0.26 0.00 0.00 57.72 54.20 1xe3 n HIS 147 Cb 0.52 -2.33 -0.05 0.00 1.12 0.00 0.00 29.99 29.25 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 4.50 0.03 1.59 0.11 -1.26 -1.23 120.40 126.06 1xe3 s VAL 148 Ca 0.50 2.01 0.07 0.00 -2.93 0.00 0.00 61.98 61.63 1xe3 s VAL 148 Cb 0.14 -4.29 -0.02 0.00 -1.53 0.00 0.00 36.38 30.67 1xe3 s VAL 148 CO -0.06 0.34 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.72 1xe3 s ARG 149 N -0.09 1.42 -0.17 1.54 0.52 0.24 -4.92 118.95 117.49 1xe3 s ARG 149 Ca 0.45 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1xe3 s ARG 149 Cb -0.23 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.77 1xe3 s ARG 149 CO 0.29 0.39 -0.17 0.08 0.02 0.00 0.00 175.30 175.90 1xe3 s VAL 150 N -0.70 2.41 0.00 3.52 1.01 -1.26 -1.16 120.40 124.22 1xe3 s VAL 150 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1xe3 s VAL 150 Cb -0.08 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1xe3 s VAL 150 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1xe3 n GLY 151 N 4.31 0.73 3.91 4.51 0.00 -1.03 -4.95 105.19 112.67 1xe3 n GLY 151 Ca -0.20 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 0.36 6.44 0.36 1.61 6.03 -1.26 0.16 114.94 128.63 1xe3 s ASN 152 Ca 0.00 0.56 0.05 0.00 -1.03 0.00 0.00 52.86 52.44 1xe3 s ASN 152 Cb 0.00 -2.08 -0.07 0.00 -3.03 0.00 0.00 41.25 36.07 1xe3 s ASN 152 CO 0.00 -0.07 0.03 0.68 -2.03 0.00 0.00 177.10 175.71 1xe3 s VAL 153 N -1.89 1.56 -0.21 3.54 -7.23 -1.13 -1.20 120.40 113.84 1xe3 s VAL 153 Ca 0.41 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1xe3 s VAL 153 Cb -0.11 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1xe3 s VAL 153 CO 0.28 -0.01 0.06 -0.22 -0.31 0.00 0.00 175.10 174.89 1xe3 s LEU 154 N -3.58 3.58 -0.38 1.32 0.20 0.48 0.34 118.68 120.64 1xe3 s LEU 154 Ca 0.36 -0.08 -0.20 0.00 0.69 0.00 0.00 54.13 54.90 1xe3 s LEU 154 Cb 0.09 -1.93 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1xe3 s LEU 154 CO 0.16 0.07 0.59 -0.89 -0.29 0.00 0.00 176.35 176.00 1xe3 s THR 155 N 1.01 4.91 -0.11 3.68 2.01 0.94 -0.32 115.64 127.77 1xe3 s THR 155 Ca 0.04 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 1xe3 s THR 155 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xe3 s THR 155 CO 0.03 -0.38 0.09 0.00 -0.69 0.00 0.00 174.62 173.66 1xe3 s ALA 156 N 2.63 3.65 0.16 7.40 0.00 0.21 -3.07 121.76 132.74 1xe3 s ALA 156 Ca 0.22 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.56 1xe3 s ALA 156 Cb -0.15 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1xe3 s ALA 156 CO 0.16 0.61 1.43 -0.44 0.00 0.00 0.00 175.76 177.51 1xe3 h ASP 157 N 5.04 0.00 -3.38 0.00 3.32 -1.88 -3.40 116.42 116.12 1xe3 h ASP 157 Ca -0.53 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.85 1xe3 h ASP 157 Cb 1.22 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.42 1xe3 h ASP 157 CO 0.57 0.81 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.38 1xe3 s VAL 158 N -3.08 2.27 0.14 -1.35 1.01 -1.26 -4.96 120.40 113.16 1xe3 s VAL 158 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1xe3 s VAL 158 Cb 0.11 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.26 1xe3 s VAL 158 CO 0.79 0.31 1.37 0.15 0.00 0.00 0.00 175.10 177.72 1xe3 h PHE 159 N 7.91 0.88 -3.45 5.22 3.57 -1.99 -3.39 116.94 125.69 1xe3 h PHE 159 Ca -0.36 -0.38 -0.74 0.00 3.53 0.00 0.00 57.97 60.02 1xe3 h PHE 159 Cb 1.11 -0.14 -0.29 0.00 2.79 0.00 0.00 35.95 39.42 1xe3 h PHE 159 CO 0.54 1.18 -0.24 0.71 -2.23 0.00 0.00 178.31 178.27 1xe3 s TYR 160 N -3.75 3.49 -0.18 0.41 1.51 -1.26 -5.06 117.35 112.51 1xe3 s TYR 160 Ca -0.09 -1.99 -0.07 0.00 -1.01 0.00 0.00 57.07 53.92 1xe3 s TYR 160 Cb 0.10 -3.57 -0.04 0.00 -0.11 0.00 0.00 41.96 38.34 1xe3 s TYR 160 CO 0.88 -0.97 0.04 0.50 -1.11 0.00 0.00 175.55 174.89 1xe3 s ARG 161 N 0.82 3.90 0.07 -0.62 3.52 -1.26 -5.01 118.95 120.37 1xe3 s ARG 161 Ca 0.11 -0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.19 1xe3 s ARG 161 Cb -0.22 -3.15 -0.25 0.00 -1.56 0.00 0.00 34.95 29.78 1xe3 s ARG 161 CO -0.03 0.26 1.16 0.93 -0.81 0.00 0.00 175.30 176.81 1xe3 h GLU 162 N 6.70 0.65 -5.02 5.12 4.39 -1.97 -3.42 114.58 121.04 1xe3 h GLU 162 Ca -0.36 -0.77 -0.66 0.00 0.34 0.00 0.00 59.36 57.92 1xe3 h GLU 162 Cb 1.17 0.24 -0.27 0.00 -0.10 0.00 0.00 28.75 29.79 1xe3 h GLU 162 CO 0.69 1.34 -0.71 0.45 -1.16 0.00 0.00 179.01 179.62 1xe3 s SER 163 N -7.34 4.45 0.00 1.42 0.15 -1.26 -4.98 113.70 106.14 1xe3 s SER 163 Ca -0.09 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.45 1xe3 s SER 163 Cb 0.06 -1.77 0.37 0.00 -1.71 0.00 0.00 66.02 62.98 1xe3 s SER 163 CO 0.92 -0.01 1.36 0.23 1.20 0.00 0.00 173.24 176.95 1xe3 n MET 164 N 4.70 2.31 -0.16 5.44 2.81 -1.26 -4.60 117.12 126.36 1xe3 n MET 164 Ca -0.18 -1.94 -0.02 0.00 -1.81 0.00 0.00 57.70 53.75 1xe3 n MET 164 Cb 0.51 -1.48 0.07 0.00 -0.71 0.00 0.00 33.22 31.61 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 4.32 -0.05 1.12 7.83 5.19 -1.99 -1.43 116.42 131.41 1xe3 h ASP 165 Ca 0.00 0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 1xe3 h ASP 165 Cb 0.93 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1xe3 h ASP 165 CO 0.00 0.00 -0.53 -0.03 -3.12 0.00 0.00 179.24 175.56 1xe3 h MET 166 N 0.21 0.00 0.06 3.56 4.05 -1.99 -1.87 114.93 118.95 1xe3 h MET 166 Ca 0.26 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.44 1xe3 h MET 166 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1xe3 h MET 166 CO -0.36 0.53 -1.09 -0.39 0.23 0.00 0.00 176.91 175.84 1xe3 h VAL 167 N 0.00 1.57 -0.46 -5.77 -1.51 -1.74 -1.29 116.25 107.05 1xe3 h VAL 167 Ca -0.01 -3.09 0.05 0.00 -1.23 0.00 0.00 66.70 62.42 1xe3 h VAL 167 Cb 1.24 2.81 -0.04 0.00 -2.13 0.00 0.00 31.29 33.17 1xe3 h VAL 167 CO 0.07 0.89 0.21 0.50 -1.23 0.00 0.00 177.57 178.01 1xe3 h LYS 168 N 0.06 0.40 -0.82 5.19 1.63 -1.25 -1.30 116.57 120.48 1xe3 h LYS 168 Ca -0.08 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1xe3 h LYS 168 Cb 1.81 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 33.31 1xe3 h LYS 168 CO 0.17 0.26 0.54 -0.22 -3.45 0.00 0.00 179.45 176.75 1xe3 h LYS 169 N 0.41 1.05 -0.72 1.90 3.64 -1.14 -0.39 116.57 121.33 1xe3 h LYS 169 Ca 0.21 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1xe3 h LYS 169 Cb 0.15 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1xe3 h LYS 169 CO -0.17 0.69 0.30 -0.07 -2.27 0.00 0.00 179.45 177.94 1xe3 h LEU 170 N 1.08 0.97 -0.89 5.20 3.38 -1.11 -1.11 115.31 122.83 1xe3 h LEU 170 Ca 0.31 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.33 1xe3 h LEU 170 Cb -0.08 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 40.25 1xe3 h LEU 170 CO -0.08 0.87 -0.07 1.23 0.09 0.00 0.00 178.44 180.48 1xe3 h GLY 171 N 1.02 0.92 2.00 0.83 0.00 -0.29 -0.86 103.07 106.68 1xe3 h GLY 171 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1xe3 h GLY 171 CO -0.02 -0.39 0.00 -0.55 0.00 0.00 0.00 176.54 175.58 1xe3 h ASP 172 N 0.04 0.00 -0.48 0.19 3.32 0.18 -2.14 116.42 117.53 1xe3 h ASP 172 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1xe3 h ASP 172 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1xe3 h ASP 172 CO -0.85 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.45 1xe3 n TYR 173 N -2.61 1.59 -0.65 4.55 4.02 -0.68 -4.96 117.16 118.42 1xe3 n TYR 173 Ca 0.02 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 57.16 1xe3 n TYR 173 Cb 0.29 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 0.33 0.80 3.69 2.72 0.00 -0.80 -5.03 105.19 106.90 1xe3 n GLY 174 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.10 3.10 -0.05 1.61 1.01 -0.42 -4.67 120.40 117.89 1xe3 s VAL 175 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 1xe3 s VAL 175 Cb 0.00 -3.34 -0.31 0.00 0.00 0.00 0.00 36.38 32.73 1xe3 s VAL 175 CO 0.00 -0.00 0.73 -0.07 0.00 0.00 0.00 175.10 175.75 1xe3 h LEU 176 N 8.59 0.56 -7.82 3.92 3.38 -1.47 -3.34 115.31 119.13 1xe3 h LEU 176 Ca -0.42 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 56.66 1xe3 h LEU 176 Cb 1.20 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1xe3 h LEU 176 CO 0.93 1.65 0.15 0.00 0.09 0.00 0.00 178.44 181.27 1xe3 s ALA 177 N -2.52 -1.12 -0.06 1.53 0.00 -1.26 -1.20 121.76 117.13 1xe3 s ALA 177 Ca -0.16 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1xe3 s ALA 177 Cb 0.04 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1xe3 s ALA 177 CO 0.84 -0.94 -0.14 0.54 0.00 0.00 0.00 175.76 176.06 1xe3 s VAL 178 N -3.90 3.08 0.00 0.00 0.11 0.34 -0.38 120.40 119.65 1xe3 s VAL 178 Ca 0.11 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1xe3 s VAL 178 Cb -0.04 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.59 1xe3 s VAL 178 CO 0.03 0.58 0.00 -1.84 -3.33 0.00 0.00 175.10 170.54 1xe3 n GLU 179 N 2.51 0.00 0.00 1.54 -0.00 0.56 -1.47 120.64 123.78 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 0.66 0.00 3.44 2.81 -1.26 0.66 117.12 123.43 1xe3 n MET 180 Ca 0.00 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1xe3 n MET 180 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.14 2.61 -0.25 0.03 4.71 -1.26 -1.82 120.64 124.52 1xe3 n GLU 181 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1xe3 n GLU 181 Cb 0.28 -0.73 0.15 0.00 -1.01 0.00 0.00 31.44 30.14 1xe3 n GLU 181 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1xe3 h THR 182 N 0.00 1.24 -0.88 2.62 2.02 -1.94 -2.08 112.91 113.88 1xe3 h THR 182 Ca 0.00 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1xe3 h THR 182 Cb 0.21 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1xe3 h THR 182 CO 0.00 0.27 0.46 0.00 0.37 0.00 0.00 175.52 176.62 1xe3 h THR 183 N 1.09 1.26 -0.11 3.16 1.03 -1.91 -0.32 112.91 117.11 1xe3 h THR 183 Ca 0.27 -0.68 -0.01 0.00 -0.01 0.00 0.00 66.41 65.97 1xe3 h THR 183 Cb 0.07 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.24 1xe3 h THR 183 CO -0.04 0.30 0.02 0.00 -0.01 0.00 0.00 175.52 175.80 1xe3 h ALA 184 N 1.25 0.15 -0.13 0.00 0.00 -1.75 -0.25 119.26 118.52 1xe3 h ALA 184 Ca 0.31 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xe3 h ALA 184 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xe3 h ALA 184 CO -0.04 -0.21 0.04 1.25 0.00 0.00 0.00 179.25 180.28 1xe3 h LEU 185 N -0.03 0.04 -0.80 0.00 5.85 -1.26 -2.06 115.31 117.05 1xe3 h LEU 185 Ca 0.03 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1xe3 h LEU 185 Cb 0.26 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1xe3 h LEU 185 CO 0.00 0.04 -0.20 1.88 -0.34 0.00 0.00 178.44 179.82 1xe3 h TYR 186 N 0.10 0.76 -0.25 1.25 -1.99 -1.01 -2.19 116.97 113.64 1xe3 h TYR 186 Ca 0.06 -0.16 -0.16 0.00 2.00 0.00 0.00 58.73 60.47 1xe3 h TYR 186 Cb 0.04 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1xe3 h TYR 186 CO -0.11 0.83 -0.50 1.15 -0.00 0.00 0.00 178.16 179.53 1xe3 h THR 187 N 0.60 1.30 -0.05 -2.88 2.02 -1.00 -2.23 112.91 110.68 1xe3 h THR 187 Ca 0.09 -1.71 -0.24 0.00 0.77 0.00 0.00 66.41 65.32 1xe3 h THR 187 Cb 0.67 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1xe3 h THR 187 CO 0.05 0.54 -0.93 -0.07 0.37 0.00 0.00 175.52 175.49 1xe3 h LEU 188 N 0.54 0.80 -0.45 2.58 3.38 -1.37 -1.22 115.31 119.57 1xe3 h LEU 188 Ca 0.02 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.41 1xe3 h LEU 188 Cb 1.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1xe3 h LEU 188 CO 0.10 1.39 0.28 0.00 0.09 0.00 0.00 178.44 180.31 1xe3 h ALA 189 N 0.57 0.57 -0.25 1.53 0.00 -1.40 -1.81 119.26 118.47 1xe3 h ALA 189 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xe3 h ALA 189 Cb 1.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1xe3 h ALA 189 CO 0.18 -0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.56 1xe3 h ALA 190 N 1.18 0.31 -0.60 0.00 0.00 -1.40 0.72 119.26 119.47 1xe3 h ALA 190 Ca 0.17 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1xe3 h ALA 190 Cb -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 1xe3 h ALA 190 CO -0.06 -0.24 0.05 -0.22 0.00 0.00 0.00 179.25 178.78 1xe3 h LYS 191 N 0.30 0.16 -0.18 0.00 3.64 -0.88 -2.67 116.57 116.95 1xe3 h LYS 191 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xe3 h LYS 191 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xe3 h LYS 191 CO -0.04 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 1xe3 n TYR 192 N -5.22 0.21 -3.18 1.91 4.01 -0.71 -4.97 117.16 109.21 1xe3 n TYR 192 Ca 0.09 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1xe3 n TYR 192 Cb 0.34 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.28 -0.01 3.65 2.72 0.00 -0.00 -5.04 105.19 107.79 1xe3 n GLY 193 Ca 0.17 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.19 1.17 -0.17 1.61 -7.23 0.04 -5.02 120.40 107.59 1xe3 s VAL 194 Ca 0.37 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1xe3 s VAL 194 Cb -0.16 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1xe3 s VAL 194 CO 0.46 0.00 -0.01 0.20 -0.31 0.00 0.00 175.10 175.44 1xe3 s ASN 195 N -3.75 4.96 0.05 4.85 0.02 -0.21 -4.32 114.94 116.54 1xe3 s ASN 195 Ca 0.17 -0.11 0.02 0.00 -1.02 0.00 0.00 52.86 51.92 1xe3 s ASN 195 Cb 0.04 -1.83 -0.03 0.00 0.02 0.00 0.00 41.25 39.45 1xe3 s ASN 195 CO 0.09 0.14 -0.07 0.00 0.02 0.00 0.00 177.10 177.29 1xe3 s ALA 196 N 0.52 0.59 -0.14 0.60 0.00 -1.26 -0.72 121.76 121.34 1xe3 s ALA 196 Ca -0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1xe3 s ALA 196 Cb -0.14 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1xe3 s ALA 196 CO 0.02 -0.08 0.52 -1.17 0.00 0.00 0.00 175.76 175.05 1xe3 s LEU 197 N -1.84 0.00 -0.17 0.00 2.96 -0.91 -1.19 118.68 117.53 1xe3 s LEU 197 Ca -0.07 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1xe3 s LEU 197 Cb -0.07 1.87 -0.02 0.00 0.50 0.00 0.00 46.19 48.47 1xe3 s LEU 197 CO -0.01 -0.32 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.20 1xe3 s SER 198 N -0.31 4.39 -0.20 3.68 0.01 -1.26 -0.64 113.70 119.37 1xe3 s SER 198 Ca -0.05 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1xe3 s SER 198 Cb -0.03 -1.72 0.04 0.00 0.21 0.00 0.00 66.02 64.52 1xe3 s SER 198 CO 0.03 0.09 -0.12 -0.69 0.41 0.00 0.00 173.24 172.96 1xe3 s VAL 199 N 0.80 1.77 0.01 3.43 1.01 0.94 -2.29 120.40 126.06 1xe3 s VAL 199 Ca -0.02 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1xe3 s VAL 199 Cb -0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1xe3 s VAL 199 CO 0.02 0.23 -0.22 -0.76 0.00 0.00 0.00 175.10 174.37 1xe3 s LEU 200 N 1.35 2.10 -0.07 3.92 2.01 0.17 -1.90 118.68 126.26 1xe3 s LEU 200 Ca -0.01 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.65 1xe3 s LEU 200 Cb -0.16 -1.08 -0.04 0.00 0.01 0.00 0.00 46.19 44.93 1xe3 s LEU 200 CO -0.09 0.23 0.06 -0.89 1.01 0.00 0.00 176.35 176.67 1xe3 s THR 201 N -0.64 4.78 -0.39 5.49 2.01 -0.18 0.06 115.64 126.77 1xe3 s THR 201 Ca 0.08 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1xe3 s THR 201 Cb -0.09 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1xe3 s THR 201 CO 0.00 0.53 1.51 -0.69 -0.69 0.00 0.00 174.62 175.29 1xe3 s VAL 202 N -1.02 3.79 -0.09 3.82 1.01 0.51 -1.03 120.40 127.39 1xe3 s VAL 202 Ca 0.17 0.80 0.15 0.00 0.00 0.00 0.00 61.98 63.09 1xe3 s VAL 202 Cb -0.12 -4.06 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 1xe3 s VAL 202 CO 0.06 -0.67 0.74 -1.54 0.00 0.00 0.00 175.10 173.69 1xe3 n SER 203 N 9.22 0.85 -3.53 3.32 3.41 -0.43 -0.37 113.62 126.09 1xe3 n SER 203 Ca 0.18 0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 59.07 1xe3 n SER 203 Cb 0.48 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 -5.91 -0.44 -0.26 4.04 -4.77 -1.24 -1.83 116.67 106.26 1xe3 s ASP 204 Ca -0.04 -0.16 -0.08 0.00 -3.30 0.00 0.00 52.55 48.98 1xe3 s ASP 204 Cb 0.08 0.58 -0.02 0.00 -1.09 0.00 0.00 42.92 42.47 1xe3 s ASP 204 CO 0.82 -0.98 0.09 -2.28 0.70 0.00 0.00 175.17 173.53 1xe3 s HIS 205 N -3.79 3.11 0.37 2.11 2.46 0.14 -0.48 115.29 119.22 1xe3 s HIS 205 Ca 0.03 -0.44 0.30 0.00 0.47 0.00 0.00 55.06 55.42 1xe3 s HIS 205 Cb -0.01 -2.27 1.49 0.00 -0.13 0.00 0.00 32.58 31.67 1xe3 s HIS 205 CO -0.10 -0.37 2.07 0.82 -2.47 0.00 0.00 174.74 174.68 1xe3 h ILE 206 N 5.57 0.42 0.00 0.89 2.04 -1.68 -1.92 117.51 122.84 1xe3 h ILE 206 Ca -0.37 -0.53 -0.19 0.00 1.00 0.00 0.00 64.86 64.77 1xe3 h ILE 206 Cb 1.17 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 1xe3 h ILE 206 CO 0.58 0.10 -1.71 0.49 0.00 0.00 0.00 178.15 177.61 1xe3 n PHE 207 N -3.48 0.00 0.52 1.37 3.72 -1.26 -4.60 117.46 113.73 1xe3 n PHE 207 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1xe3 n PHE 207 Cb 0.25 -0.48 0.38 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.03 0.00 0.00 4.37 1.35 -1.93 -3.47 112.91 113.20 1xe3 h THR 208 Ca -0.28 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1xe3 h THR 208 Cb 1.42 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1xe3 h THR 208 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1xe3 n GLY 209 N 1.09 2.40 3.71 5.82 0.00 -0.72 -5.01 105.19 112.49 1xe3 n GLY 209 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 2.30 -4.19 1.61 -0.58 -1.25 -4.73 120.64 111.80 1xe3 n GLU 210 Ca 0.00 0.81 -0.13 0.00 -0.42 0.00 0.00 57.16 57.42 1xe3 n GLU 210 Cb 0.00 -2.47 -0.09 0.00 -0.57 0.00 0.00 31.44 28.30 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 -1.31 1.33 0.06 3.49 -1.05 -1.26 0.25 118.70 120.20 1xe3 s GLU 211 Ca 0.60 -1.66 -0.08 0.00 -0.15 0.00 0.00 54.97 53.69 1xe3 s GLU 211 Cb -0.56 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.43 1xe3 s GLU 211 CO 0.57 -0.46 0.15 -0.08 0.95 0.00 0.00 175.26 176.39 1xe3 s THR 212 N -4.02 0.14 0.28 1.83 -1.32 -0.76 -4.96 115.64 106.83 1xe3 s THR 212 Ca 0.38 -1.12 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1xe3 s THR 212 Cb 0.05 -1.11 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1xe3 s THR 212 CO 0.14 -0.62 0.43 -0.89 -2.21 0.00 0.00 174.62 171.47 1xe3 s THR 213 N -3.15 5.20 0.17 5.08 2.01 -1.26 -4.94 115.64 118.75 1xe3 s THR 213 Ca -0.00 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1xe3 s THR 213 Cb 0.02 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1xe3 s THR 213 CO -0.07 -0.41 1.48 0.77 -0.69 0.00 0.00 174.62 175.70 1xe3 h SER 214 N 1.05 0.76 -0.92 3.53 4.64 -1.99 -2.04 113.55 118.57 1xe3 h SER 214 Ca -0.51 -0.39 0.11 0.00 -0.47 0.00 0.00 61.79 60.53 1xe3 h SER 214 Cb 1.22 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 63.02 1xe3 h SER 214 CO 0.61 1.14 0.56 -0.33 -0.87 0.00 0.00 176.83 177.94 1xe3 h GLU 215 N 0.53 0.87 -0.14 4.77 4.39 -2.00 -1.82 114.58 121.18 1xe3 h GLU 215 Ca 0.02 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1xe3 h GLU 215 Cb 1.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1xe3 h GLU 215 CO 0.11 0.57 -0.17 1.49 -1.16 0.00 0.00 179.01 179.85 1xe3 h GLU 216 N 0.89 0.22 -0.00 2.33 4.81 -1.89 -2.95 114.58 118.00 1xe3 h GLU 216 Ca 0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1xe3 h GLU 216 Cb 0.45 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xe3 h GLU 216 CO -0.27 0.40 -0.29 0.54 -0.73 0.00 0.00 179.01 178.66 1xe3 n ARG 217 N -4.24 0.44 -0.18 1.92 1.74 -0.75 -4.56 116.66 111.04 1xe3 n ARG 217 Ca -0.01 -0.23 -0.03 0.00 -0.77 0.00 0.00 57.85 56.82 1xe3 n ARG 217 Cb 0.30 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1xe3 n ARG 217 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1xe3 h GLN 218 N 0.56 0.45 -0.66 5.56 1.08 -1.20 0.07 115.11 120.95 1xe3 h GLN 218 Ca 0.00 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1xe3 h GLN 218 Cb 0.47 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1xe3 h GLN 218 CO 0.00 0.29 0.22 1.79 -0.95 0.00 0.00 178.83 180.18 1xe3 h THR 219 N 0.46 1.25 0.45 -0.54 1.35 -1.80 -1.11 112.91 112.96 1xe3 h THR 219 Ca 0.26 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1xe3 h THR 219 Cb 0.23 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1xe3 h THR 219 CO -0.22 0.33 -0.21 0.74 -0.25 0.00 0.00 175.52 175.90 1xe3 h THR 220 N 0.96 0.50 -0.61 6.82 2.02 -1.79 -2.79 112.91 118.01 1xe3 h THR 220 Ca 0.21 -0.40 0.13 0.00 0.77 0.00 0.00 66.41 67.12 1xe3 h THR 220 Cb 0.28 0.67 -0.11 0.00 -1.74 0.00 0.00 68.15 67.25 1xe3 h THR 220 CO -0.01 0.06 -0.03 0.15 0.37 0.00 0.00 175.52 176.07 1xe3 h PHE 221 N -0.86 -0.10 -0.95 3.16 -0.00 -0.98 0.34 116.94 117.56 1xe3 h PHE 221 Ca -0.06 0.05 0.02 0.00 -0.00 0.00 0.00 57.97 57.97 1xe3 h PHE 221 Cb 0.56 0.14 -0.05 0.00 -0.00 0.00 0.00 35.95 36.60 1xe3 h PHE 221 CO 0.01 -0.19 0.63 -0.91 -0.00 0.00 0.00 178.31 177.85 1xe3 h ASN 222 N 0.09 1.08 -0.70 0.41 2.35 -1.25 0.29 115.58 117.85 1xe3 h ASN 222 Ca 0.32 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1xe3 h ASN 222 Cb 0.51 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1xe3 h ASN 222 CO -0.55 0.77 0.15 -0.33 -1.65 0.00 0.00 177.43 175.82 1xe3 h GLU 223 N 1.27 1.13 -0.62 0.81 4.39 -1.09 -2.70 114.58 117.78 1xe3 h GLU 223 Ca 0.36 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1xe3 h GLU 223 Cb -0.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 1xe3 h GLU 223 CO -0.09 1.01 0.08 0.52 -1.16 0.00 0.00 179.01 179.37 1xe3 h MET 224 N 1.07 1.02 -0.54 2.33 2.86 -0.39 -1.22 114.93 120.05 1xe3 h MET 224 Ca 0.22 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1xe3 h MET 224 Cb 0.40 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1xe3 h MET 224 CO 0.01 0.95 -0.07 -0.84 1.06 0.00 0.00 176.91 178.02 1xe3 h ILE 225 N 0.95 1.26 -0.43 -1.22 -0.00 -0.89 -0.14 117.51 117.05 1xe3 h ILE 225 Ca 0.19 -1.21 -0.06 0.00 -0.00 0.00 0.00 64.86 63.78 1xe3 h ILE 225 Cb 0.44 0.92 -0.02 0.00 -0.00 0.00 0.00 36.82 38.16 1xe3 h ILE 225 CO 0.01 0.43 0.01 -0.08 -0.00 0.00 0.00 178.15 178.53 1xe3 h GLU 226 N 0.89 0.68 -0.23 0.16 4.81 -1.33 0.17 114.58 119.74 1xe3 h GLU 226 Ca 0.15 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xe3 h GLU 226 Cb 0.62 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1xe3 h GLU 226 CO 0.04 0.69 -0.05 0.82 -0.73 0.00 0.00 179.01 179.78 1xe3 h ILE 227 N 0.65 1.28 -0.41 2.32 2.04 -0.92 -1.77 117.51 120.69 1xe3 h ILE 227 Ca 0.13 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1xe3 h ILE 227 Cb 0.39 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1xe3 h ILE 227 CO 0.01 0.32 0.18 0.00 0.00 0.00 0.00 178.15 178.66 1xe3 h ALA 228 N 0.76 0.53 0.22 1.87 0.00 -0.74 -0.56 119.26 121.34 1xe3 h ALA 228 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xe3 h ALA 228 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xe3 h ALA 228 CO 0.02 0.11 -0.19 -0.07 0.00 0.00 0.00 179.25 179.12 1xe3 h LEU 229 N 0.52 -0.50 -0.43 0.00 3.38 -0.97 -1.33 115.31 115.97 1xe3 h LEU 229 Ca 0.14 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1xe3 h LEU 229 Cb 0.15 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1xe3 h LEU 229 CO -0.01 -0.29 0.11 0.44 0.09 0.00 0.00 178.44 178.78 1xe3 h ASP 230 N -0.43 0.07 -0.49 -0.43 3.45 -1.27 -2.42 116.42 114.90 1xe3 h ASP 230 Ca -0.01 0.06 0.01 0.00 0.43 0.00 0.00 57.03 57.53 1xe3 h ASP 230 Cb 0.39 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 1xe3 h ASP 230 CO -0.03 0.07 0.32 0.00 -1.57 0.00 0.00 179.24 178.04 1xe3 h ALA 231 N 1.31 1.68 0.00 3.45 0.00 -0.94 -3.51 119.26 121.24 1xe3 h ALA 231 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xe3 h ALA 231 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xe3 h ALA 231 CO -0.25 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.29