#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe7 n ASN 10 N 0.00 2.06 -4.74 0.00 5.03 -1.26 -4.92 115.26 111.43 1xe7 n ASN 10 Ca 0.00 1.10 -0.41 0.00 0.87 0.00 0.00 54.58 56.15 1xe7 n ASN 10 Cb 0.00 -1.08 -0.04 0.00 -1.02 0.00 0.00 39.78 37.65 1xe7 n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xe7 s ALA 11 N 3.31 3.39 0.51 5.41 0.00 -0.02 -4.95 121.76 129.41 1xe7 s ALA 11 Ca 1.00 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.59 1xe7 s ALA 11 Cb -1.18 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 18.53 1xe7 s ALA 11 CO 0.69 -0.22 1.29 0.00 0.00 0.00 0.00 175.76 177.52 1xe7 s ALA 12 N -0.46 2.91 -0.53 0.00 0.00 -1.26 -4.71 121.76 117.72 1xe7 s ALA 12 Ca 0.49 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 1xe7 s ALA 12 Cb -0.31 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.40 1xe7 s ALA 12 CO 0.37 -1.09 0.55 0.42 0.00 0.00 0.00 175.76 176.01 1xe7 s ILE 13 N -1.38 5.04 -0.49 0.00 1.01 -1.26 -4.95 121.20 119.17 1xe7 s ILE 13 Ca 0.68 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1xe7 s ILE 13 Cb -0.36 -4.31 0.24 0.00 0.01 0.00 0.00 42.46 38.04 1xe7 s ILE 13 CO 0.44 -0.84 0.58 -0.62 0.00 0.00 0.00 174.94 174.50 1xe7 n GLU 14 N 5.72 1.33 -1.63 2.79 1.02 -1.26 -5.12 120.64 123.50 1xe7 n GLU 14 Ca -0.11 -3.76 -0.44 0.00 -0.02 0.00 0.00 57.16 52.83 1xe7 n GLU 14 Cb 0.43 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1xe7 n GLU 14 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xe7 n PRO 15 N 1.34 1.64 -0.66 3.49 -0.04 -1.26 -5.00 135.00 134.51 1xe7 n PRO 15 Ca 0.25 0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 64.21 1xe7 n PRO 15 Cb 0.48 -2.05 0.05 0.00 -0.04 0.00 0.00 33.50 31.94 1xe7 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xe7 n ALA 16 N 0.57 -0.29 -0.03 0.55 0.00 -1.26 -4.78 120.51 115.28 1xe7 n ALA 16 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1xe7 n ALA 16 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1xe7 n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xe7 h SER 17 N -0.39 -1.04 -0.95 0.00 4.64 -1.94 -2.00 113.55 111.87 1xe7 h SER 17 Ca -0.11 0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1xe7 h SER 17 Cb 0.32 0.45 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 1xe7 h SER 17 CO 0.08 -0.35 0.61 -0.26 -0.87 0.00 0.00 176.83 176.04 1xe7 h PHE 18 N -0.36 1.13 -0.37 4.77 0.04 -1.91 0.76 116.94 121.00 1xe7 h PHE 18 Ca 0.11 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 1xe7 h PHE 18 Cb 0.55 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xe7 h PHE 18 CO -0.44 0.58 -0.19 0.28 -0.60 0.00 0.00 178.31 177.94 1xe7 h VAL 19 N 1.11 1.26 0.03 -0.55 2.07 -1.80 -0.87 116.25 117.52 1xe7 h VAL 19 Ca 0.41 -1.26 -0.20 0.00 0.82 0.00 0.00 66.70 66.47 1xe7 h VAL 19 Cb 0.16 1.19 0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xe7 h VAL 19 CO -0.17 0.42 -0.80 0.11 0.02 0.00 0.00 177.57 177.15 1xe7 h LYS 20 N 0.62 0.48 -2.90 1.57 1.57 -0.63 -3.41 116.57 113.87 1xe7 h LYS 20 Ca 0.09 -0.56 -0.59 0.00 -1.87 0.00 0.00 60.65 57.72 1xe7 h LYS 20 Cb 0.67 0.17 -0.40 0.00 0.08 0.00 0.00 32.23 32.75 1xe7 h LYS 20 CO 0.05 1.20 -0.78 0.08 -0.57 0.00 0.00 179.45 179.43 1xe7 s VAL 21 N -3.09 0.86 0.60 0.50 1.01 0.26 -5.10 120.40 115.43 1xe7 s VAL 21 Ca -0.12 -2.08 -0.20 0.00 0.00 0.00 0.00 61.98 59.58 1xe7 s VAL 21 Cb 0.04 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1xe7 s VAL 21 CO 0.86 -0.90 1.32 -2.16 0.00 0.00 0.00 175.10 174.22 1xe7 s PRO 22 N 0.79 2.83 0.60 2.72 0.04 -0.34 -4.17 135.00 137.47 1xe7 s PRO 22 Ca 0.17 2.14 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1xe7 s PRO 22 Cb -0.23 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1xe7 s PRO 22 CO -0.03 -1.41 1.13 1.41 0.04 0.00 0.00 177.00 178.14 1xe7 s MET 23 N -3.16 3.06 0.19 4.56 1.75 0.25 -4.91 119.30 121.03 1xe7 s MET 23 Ca 0.78 1.52 -0.08 0.00 -1.25 0.00 0.00 55.69 56.66 1xe7 s MET 23 Cb -0.39 -1.97 0.10 0.00 2.84 0.00 0.00 34.83 35.41 1xe7 s MET 23 CO 0.43 -1.07 1.62 -1.00 -0.65 0.00 0.00 175.02 174.35 1xe7 h PRO 24 N 0.62 0.95 -4.46 4.11 0.13 -1.91 -3.36 132.00 128.09 1xe7 h PRO 24 Ca -0.48 -0.35 -0.20 0.00 -0.87 0.00 0.00 66.00 64.09 1xe7 h PRO 24 Cb 1.26 -0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1xe7 h PRO 24 CO 0.55 1.02 -0.70 -1.21 -0.23 0.00 0.00 178.00 177.43 1xe7 s GLU 25 N -4.79 0.66 0.64 0.86 0.41 -1.26 -4.95 118.70 110.27 1xe7 s GLU 25 Ca -0.11 -1.12 -0.16 0.00 -0.41 0.00 0.00 54.97 53.18 1xe7 s GLU 25 Cb 0.13 -0.08 -0.01 0.00 -1.78 0.00 0.00 34.13 32.39 1xe7 s GLU 25 CO 0.85 -0.03 1.12 -1.25 -0.49 0.00 0.00 175.26 175.46 1xe7 s PRO 26 N -3.18 2.86 0.56 0.39 0.04 -1.26 -4.59 135.00 129.82 1xe7 s PRO 26 Ca 0.04 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 1xe7 s PRO 26 Cb 0.02 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1xe7 s PRO 26 CO -0.05 -1.21 1.19 -1.25 0.04 0.00 0.00 177.00 175.72 1xe7 s PRO 27 N -3.94 3.19 0.13 0.56 0.04 -1.26 -4.56 135.00 129.16 1xe7 s PRO 27 Ca 0.68 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 1xe7 s PRO 27 Cb -0.22 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1xe7 s PRO 27 CO 0.39 -1.02 1.03 0.43 0.04 0.00 0.00 177.00 177.88 1xe7 n SER 28 N -1.34 -0.59 -0.19 6.66 7.64 -1.26 -0.69 113.62 123.86 1xe7 n SER 28 Ca 0.12 1.18 -0.01 0.00 1.01 0.00 0.00 58.87 61.17 1xe7 n SER 28 Cb 0.50 -0.20 0.09 0.00 -1.01 0.00 0.00 64.21 63.59 1xe7 n SER 28 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xe7 h SER 29 N 0.00 0.17 0.32 6.43 4.64 -1.99 -0.86 113.55 122.26 1xe7 h SER 29 Ca 0.16 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1xe7 h SER 29 Cb 0.33 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1xe7 h SER 29 CO -0.64 0.11 -0.68 -0.07 -0.87 0.00 0.00 176.83 174.68 1xe7 h LEU 30 N 0.36 0.38 -0.84 5.97 3.38 -1.25 -2.70 115.31 120.60 1xe7 h LEU 30 Ca 0.29 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xe7 h LEU 30 Cb 0.36 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1xe7 h LEU 30 CO -0.30 0.94 0.10 -0.61 0.09 0.00 0.00 178.44 178.66 1xe7 h GLN 31 N 0.23 0.96 -0.61 1.13 5.75 -0.39 -0.61 115.11 121.58 1xe7 h GLN 31 Ca -0.02 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.16 1xe7 h GLN 31 Cb 1.22 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1xe7 h GLN 31 CO 0.11 0.89 0.04 1.96 -2.65 0.00 0.00 178.83 179.18 1xe7 h GLN 32 N 0.91 1.05 -0.48 1.69 4.20 -1.11 -0.54 115.11 120.82 1xe7 h GLN 32 Ca 0.19 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1xe7 h GLN 32 Cb 0.40 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1xe7 h GLN 32 CO 0.01 1.01 0.19 1.25 -0.67 0.00 0.00 178.83 180.62 1xe7 h LEU 33 N 0.95 0.67 -0.59 1.46 5.85 -1.14 0.13 115.31 122.64 1xe7 h LEU 33 Ca 0.18 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xe7 h LEU 33 Cb 0.51 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xe7 h LEU 33 CO 0.02 0.66 0.35 0.40 -0.34 0.00 0.00 178.44 179.53 1xe7 h ILE 34 N 0.64 1.18 -0.12 4.05 2.04 -0.84 -0.97 117.51 123.49 1xe7 h ILE 34 Ca 0.16 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1xe7 h ILE 34 Cb 0.20 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xe7 h ILE 34 CO -0.01 0.19 -0.18 0.78 0.00 0.00 0.00 178.15 178.93 1xe7 h ASN 35 N 0.80 0.37 -0.37 1.72 2.35 -0.84 -0.57 115.58 119.03 1xe7 h ASN 35 Ca 0.21 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1xe7 h ASN 35 Cb -0.00 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1xe7 h ASN 35 CO -0.04 0.82 0.09 0.44 -1.65 0.00 0.00 177.43 177.10 1xe7 h ASP 36 N -0.07 0.62 0.14 5.81 3.32 -0.65 -2.77 116.42 122.81 1xe7 h ASP 36 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xe7 h ASP 36 Cb 0.74 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1xe7 h ASP 36 CO 0.04 0.63 -0.39 0.79 -1.72 0.00 0.00 179.24 178.59 1xe7 n TRP 37 N -4.30 0.00 -3.42 4.55 7.02 -0.38 -4.97 117.44 115.94 1xe7 n TRP 37 Ca 0.03 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.32 1xe7 n TRP 37 Cb 0.21 -0.08 0.08 0.00 -2.42 0.00 0.00 31.31 29.11 1xe7 n TRP 37 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1xe7 n GLN 38 N -0.50 -6.76 -2.83 -0.99 7.27 -0.46 -4.98 117.38 108.13 1xe7 n GLN 38 Ca 0.10 0.79 -0.40 0.00 0.07 0.00 0.00 57.00 57.57 1xe7 n GLN 38 Cb 0.39 -5.68 -0.06 0.00 2.41 0.00 0.00 30.24 27.31 1xe7 n GLN 38 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xe7 s LEU 39 N -6.44 4.61 0.03 1.69 1.43 -0.35 -4.85 118.68 114.79 1xe7 s LEU 39 Ca 0.23 1.84 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 1xe7 s LEU 39 Cb -0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1xe7 s LEU 39 CO 0.69 0.16 -0.16 -0.63 0.23 0.00 0.00 176.35 176.63 1xe7 s ILE 40 N -1.21 2.92 0.06 -0.59 -1.09 -0.51 -4.80 121.20 115.98 1xe7 s ILE 40 Ca 0.40 -1.09 -0.31 0.00 -2.23 0.00 0.00 60.65 57.42 1xe7 s ILE 40 Cb -0.24 -2.23 -0.08 0.00 -1.58 0.00 0.00 42.46 38.33 1xe7 s ILE 40 CO 0.29 0.37 1.58 -0.75 -1.23 0.00 0.00 174.94 175.21 1xe7 s LYS 41 N -1.37 4.22 0.52 2.79 2.20 -1.26 -0.48 119.74 126.36 1xe7 s LYS 41 Ca 0.15 2.25 -0.17 0.00 -0.36 0.00 0.00 55.97 57.84 1xe7 s LYS 41 Cb -0.11 -3.55 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 1xe7 s LYS 41 CO 0.05 -0.68 0.99 -1.58 -0.36 0.00 0.00 175.35 173.77 1xe7 s HIS 42 N 2.44 3.42 0.31 4.03 5.65 0.22 -4.91 115.29 126.44 1xe7 s HIS 42 Ca 0.71 1.47 -0.01 0.00 0.25 0.00 0.00 55.06 57.49 1xe7 s HIS 42 Cb -0.38 -2.81 0.48 0.00 -1.18 0.00 0.00 32.58 28.69 1xe7 s HIS 42 CO 0.31 -0.42 1.94 -0.09 -0.65 0.00 0.00 174.74 175.83 1xe7 h ARG 43 N 0.90 0.94 -0.07 2.88 2.43 -1.93 -1.24 114.38 118.29 1xe7 h ARG 43 Ca -0.47 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1xe7 h ARG 43 Cb 1.19 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1xe7 h ARG 43 CO 0.61 0.68 0.00 0.39 -1.51 0.00 0.00 179.97 180.14 1xe7 n GLU 44 N -4.38 1.35 0.00 0.20 4.71 -1.26 -5.00 120.64 116.26 1xe7 n GLU 44 Ca 0.07 -0.52 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 1xe7 n GLU 44 Cb 0.09 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1xe7 n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xe7 n GLY 45 N 0.97 2.46 0.00 0.62 0.00 -0.47 0.41 105.19 109.19 1xe7 n GLY 45 Ca 0.16 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1xe7 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe7 n GLY 46 N 1.35 -1.14 3.48 -0.02 0.00 -1.23 -4.32 105.19 103.31 1xe7 n GLY 46 Ca 0.00 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1xe7 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xe7 s TYR 47 N -1.76 2.64 0.25 1.61 1.51 0.10 0.72 117.35 122.42 1xe7 s TYR 47 Ca 0.00 -0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 1xe7 s TYR 47 Cb 0.00 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1xe7 s TYR 47 CO 0.00 0.24 0.47 -0.59 -1.11 0.00 0.00 175.55 174.55 1xe7 s PHE 48 N -0.87 0.43 -0.29 2.71 -0.12 0.37 0.07 117.98 120.28 1xe7 s PHE 48 Ca 0.14 -0.78 -0.16 0.00 -0.05 0.00 0.00 56.93 56.08 1xe7 s PHE 48 Cb -0.11 0.15 0.11 0.00 -0.63 0.00 0.00 43.02 42.55 1xe7 s PHE 48 CO 0.04 -0.99 0.81 0.21 -0.05 0.00 0.00 175.22 175.24 1xe7 s LYS 49 N -3.96 0.56 -0.36 1.99 2.20 -1.06 -1.43 119.74 117.68 1xe7 s LYS 49 Ca 0.24 1.01 -0.28 0.00 -0.36 0.00 0.00 55.97 56.57 1xe7 s LYS 49 Cb -0.00 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1xe7 s LYS 49 CO 0.10 -0.12 1.05 -2.00 -0.36 0.00 0.00 175.35 174.01 1xe7 s GLU 50 N 1.63 3.95 -0.01 4.03 2.12 -1.26 -1.70 118.70 127.47 1xe7 s GLU 50 Ca -0.09 0.85 0.21 0.00 0.36 0.00 0.00 54.97 56.30 1xe7 s GLU 50 Cb -0.05 -3.79 -0.24 0.00 0.26 0.00 0.00 34.13 30.31 1xe7 s GLU 50 CO -0.18 -1.00 0.80 0.25 -0.54 0.00 0.00 175.26 174.59 1xe7 n THR 51 N 6.08 0.00 -3.65 -1.70 -2.24 0.04 -4.95 114.28 107.86 1xe7 n THR 51 Ca 0.11 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1xe7 n THR 51 Cb 0.48 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1xe7 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xe7 s ASP 52 N -3.23 -0.78 -0.18 3.42 -1.08 -1.12 -4.98 116.67 108.72 1xe7 s ASP 52 Ca 0.05 1.35 -0.02 0.00 -0.52 0.00 0.00 52.55 53.40 1xe7 s ASP 52 Cb 0.15 1.27 0.05 0.00 -1.46 0.00 0.00 42.92 42.94 1xe7 s ASP 52 CO 0.86 -0.23 0.02 -0.60 0.52 0.00 0.00 175.17 175.73 1xe7 s ARG 53 N 1.13 0.81 0.20 4.34 3.52 -1.26 -0.23 118.95 127.46 1xe7 s ARG 53 Ca -0.06 -0.42 -0.32 0.00 -0.13 0.00 0.00 55.73 54.79 1xe7 s ARG 53 Cb -0.05 -2.02 -0.14 0.00 -1.56 0.00 0.00 34.95 31.17 1xe7 s ARG 53 CO -0.11 -0.58 1.38 0.45 -0.81 0.00 0.00 175.30 175.63 1xe7 n SER 54 N 5.01 2.43 0.05 -2.12 2.88 0.01 -4.85 113.62 117.03 1xe7 n SER 54 Ca -0.09 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.70 1xe7 n SER 54 Cb 0.47 -1.36 0.49 0.00 -0.75 0.00 0.00 64.21 63.06 1xe7 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xe7 n PRO 55 N 2.26 0.10 -3.14 -1.46 -0.04 -1.26 -4.38 135.00 127.07 1xe7 n PRO 55 Ca 0.14 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1xe7 n PRO 55 Cb 0.29 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1xe7 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xe7 s TYR 56 N -3.07 3.44 0.40 0.54 2.02 -1.26 -4.98 117.35 114.44 1xe7 s TYR 56 Ca 0.11 1.25 0.05 0.00 -0.37 0.00 0.00 57.07 58.10 1xe7 s TYR 56 Cb 0.14 -2.55 -0.06 0.00 -0.40 0.00 0.00 41.96 39.09 1xe7 s TYR 56 CO 0.49 0.16 0.03 0.95 -1.57 0.00 0.00 175.55 175.60 1xe7 s THR 57 N -1.87 1.56 -0.01 -0.71 -4.23 -1.26 -0.76 115.64 108.35 1xe7 s THR 57 Ca 0.51 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.85 1xe7 s THR 57 Cb -0.12 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1xe7 s THR 57 CO 0.18 0.00 0.37 0.00 -0.54 0.00 0.00 174.62 174.63 1xe7 s MET 58 N -3.79 0.75 -0.16 3.99 0.23 -0.41 -4.74 119.30 115.17 1xe7 s MET 58 Ca 0.31 -0.15 -0.14 0.00 -1.03 0.00 0.00 55.69 54.68 1xe7 s MET 58 Cb 0.08 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 1xe7 s MET 58 CO 0.15 -0.22 0.29 -1.21 -2.03 0.00 0.00 175.02 172.00 1xe7 s GLU 59 N -1.43 4.25 -0.03 3.16 0.41 -1.26 -1.24 118.70 122.56 1xe7 s GLU 59 Ca -0.12 0.08 0.07 0.00 -0.41 0.00 0.00 54.97 54.59 1xe7 s GLU 59 Cb -0.04 -3.42 -0.02 0.00 -1.78 0.00 0.00 34.13 28.87 1xe7 s GLU 59 CO 0.04 0.24 -0.25 0.08 -0.49 0.00 0.00 175.26 174.89 1xe7 s VAL 60 N 0.45 2.00 -0.33 2.63 1.01 0.16 -4.91 120.40 121.42 1xe7 s VAL 60 Ca 0.16 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1xe7 s VAL 60 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1xe7 s VAL 60 CO 0.04 0.56 0.74 -1.61 0.00 0.00 0.00 175.10 174.83 1xe7 s GLU 61 N -0.50 3.87 0.00 2.72 2.02 -1.26 -0.46 118.70 125.09 1xe7 s GLU 61 Ca 0.07 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1xe7 s GLU 61 Cb -0.11 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1xe7 s GLU 61 CO -0.00 -0.71 0.00 0.36 0.02 0.00 0.00 175.26 174.93 1xe7 n LYS 62 N 6.19 2.54 0.00 1.61 2.85 -1.26 -5.01 118.16 125.08 1xe7 n LYS 62 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1xe7 n LYS 62 Cb 0.48 -0.93 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 1xe7 n LYS 62 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xe7 n GLU 72 N -1.93 0.00 -3.74 -1.58 1.02 -1.26 -5.02 120.64 108.13 1xe7 n GLU 72 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1xe7 n GLU 72 Cb 0.43 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 1xe7 n GLU 72 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1xe7 s MET 73 N 0.00 3.83 0.11 3.49 -1.94 -1.26 -4.92 119.30 118.62 1xe7 s MET 73 Ca 0.00 -0.39 0.09 0.00 -1.71 0.00 0.00 55.69 53.68 1xe7 s MET 73 Cb 0.00 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 1xe7 s MET 73 CO 0.00 -0.10 -0.23 0.14 -0.01 0.00 0.00 175.02 174.83 1xe7 s VAL 74 N 1.43 1.87 0.08 -6.03 -7.23 0.40 -4.90 120.40 106.02 1xe7 s VAL 74 Ca 0.06 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 1xe7 s VAL 74 Cb -0.15 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 1xe7 s VAL 74 CO 0.06 -0.02 0.55 -0.89 -0.31 0.00 0.00 175.10 174.48 1xe7 s THR 75 N -1.15 4.79 0.03 5.32 2.01 -1.26 0.35 115.64 125.73 1xe7 s THR 75 Ca 0.09 1.10 -0.00 0.00 0.31 0.00 0.00 61.69 63.19 1xe7 s THR 75 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1xe7 s THR 75 CO 0.05 0.49 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.31 1xe7 s ARG 76 N -1.29 0.41 0.48 4.92 1.81 -0.37 -4.95 118.95 119.97 1xe7 s ARG 76 Ca 0.30 -0.81 -0.21 0.00 -1.72 0.00 0.00 55.73 53.29 1xe7 s ARG 76 Cb -0.18 0.14 -0.08 0.00 -0.45 0.00 0.00 34.95 34.38 1xe7 s ARG 76 CO 0.18 -0.07 1.08 -0.80 -0.68 0.00 0.00 175.30 175.02 1xe7 s ASN 77 N -1.93 6.22 0.54 0.23 -0.87 -1.26 -1.29 114.94 116.58 1xe7 s ASN 77 Ca -0.08 2.07 0.21 0.00 -1.57 0.00 0.00 52.86 53.49 1xe7 s ASN 77 Cb -0.04 -2.58 1.46 0.00 -0.02 0.00 0.00 41.25 40.07 1xe7 s ASN 77 CO -0.04 -0.87 2.17 1.56 -2.57 0.00 0.00 177.10 177.35 1xe7 h GLN 78 N 1.70 0.00 -2.37 -0.60 4.20 -1.15 0.32 115.11 117.21 1xe7 h GLN 78 Ca -0.49 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.31 1xe7 h GLN 78 Cb 1.23 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.87 1xe7 h GLN 78 CO 0.59 0.02 0.45 -1.54 -0.67 0.00 0.00 178.83 177.69 1xe7 s SER 79 N -6.69 -0.39 0.04 1.46 1.04 -1.26 -3.30 113.70 104.59 1xe7 s SER 79 Ca -0.05 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.41 1xe7 s SER 79 Cb 0.16 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1xe7 s SER 79 CO 0.62 -0.67 -0.08 0.42 0.98 0.00 0.00 173.24 174.51 1xe7 s THR 80 N -3.18 0.59 -0.03 2.02 -4.23 -0.73 -0.81 115.64 109.27 1xe7 s THR 80 Ca 0.04 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1xe7 s THR 80 Cb -0.01 -0.63 -0.00 0.00 1.34 0.00 0.00 72.50 73.20 1xe7 s THR 80 CO -0.09 -0.30 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.34 1xe7 s LEU 81 N -1.41 1.86 0.09 4.79 2.96 0.68 -1.73 118.68 125.93 1xe7 s LEU 81 Ca -0.08 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1xe7 s LEU 81 Cb -0.09 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1xe7 s LEU 81 CO 0.01 0.11 -0.06 0.27 -1.32 0.00 0.00 176.35 175.35 1xe7 s ILE 82 N 0.09 0.64 -0.12 6.68 -4.36 -0.76 -0.78 121.20 122.60 1xe7 s ILE 82 Ca -0.03 -1.91 -0.06 0.00 -0.26 0.00 0.00 60.65 58.39 1xe7 s ILE 82 Cb -0.09 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 1xe7 s ILE 82 CO 0.01 -0.88 0.11 -0.31 0.24 0.00 0.00 174.94 174.11 1xe7 s TYR 83 N -3.63 3.50 -0.06 1.37 4.12 -0.69 -1.58 117.35 120.38 1xe7 s TYR 83 Ca 0.11 0.44 -0.00 0.00 0.02 0.00 0.00 57.07 57.64 1xe7 s TYR 83 Cb 0.05 -1.92 0.02 0.00 -1.52 0.00 0.00 41.96 38.59 1xe7 s TYR 83 CO -0.05 0.65 -0.03 -0.47 0.02 0.00 0.00 175.55 175.67 1xe7 s TYR 84 N -0.90 0.77 -0.09 2.71 5.04 -0.42 -2.57 117.35 121.89 1xe7 s TYR 84 Ca 0.14 -0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 1xe7 s TYR 84 Cb -0.12 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.43 1xe7 s TYR 84 CO 0.03 -0.28 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.65 1xe7 s LEU 85 N 1.45 1.67 -0.06 6.97 2.96 0.11 -1.62 118.68 130.17 1xe7 s LEU 85 Ca -0.03 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1xe7 s LEU 85 Cb -0.13 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1xe7 s LEU 85 CO -0.03 0.03 0.05 -0.76 -1.32 0.00 0.00 176.35 174.32 1xe7 s LEU 86 N 0.82 3.83 0.24 -0.68 1.43 -0.40 0.03 118.68 123.94 1xe7 s LEU 86 Ca -0.11 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1xe7 s LEU 86 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1xe7 s LEU 86 CO 0.02 0.34 0.12 0.42 0.23 0.00 0.00 176.35 177.48 1xe7 s THR 87 N -1.04 0.27 0.58 5.49 -4.23 -0.74 -1.74 115.64 114.24 1xe7 s THR 87 Ca 0.17 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.97 1xe7 s THR 87 Cb -0.12 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.51 1xe7 s THR 87 CO 0.07 0.00 2.22 -0.65 -0.54 0.00 0.00 174.62 175.73 1xe7 h PRO 88 N 2.47 0.00 0.00 3.99 0.11 -1.90 0.43 132.00 137.09 1xe7 h PRO 88 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xe7 h PRO 88 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xe7 h PRO 88 CO 0.56 0.00 -0.94 -0.40 -0.21 0.00 0.00 178.00 177.01 1xe7 n ASP 89 N -3.91 0.66 -3.05 -2.05 5.68 -1.26 -0.58 116.55 112.03 1xe7 n ASP 89 Ca -0.02 0.01 -0.18 0.00 -0.50 0.00 0.00 54.79 54.09 1xe7 n ASP 89 Cb 0.12 0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 40.66 1xe7 n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xe7 n SER 90 N -2.16 -0.66 0.00 -1.12 2.88 -0.48 -4.66 113.62 107.41 1xe7 n SER 90 Ca 0.02 -2.95 0.15 0.00 -1.33 0.00 0.00 58.87 54.75 1xe7 n SER 90 Cb 0.47 0.14 0.86 0.00 -0.75 0.00 0.00 64.21 64.93 1xe7 n SER 90 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xe7 n PRO 91 N 1.24 0.86 -4.69 -1.46 -0.04 0.14 -1.78 135.00 129.26 1xe7 n PRO 91 Ca 0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 1xe7 n PRO 91 Cb 0.58 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1xe7 n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xe7 s ILE 92 N -2.09 1.18 -0.34 0.52 1.01 -1.26 -1.29 121.20 118.93 1xe7 s ILE 92 Ca 0.42 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1xe7 s ILE 92 Cb 0.20 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.73 1xe7 s ILE 92 CO 0.36 0.34 0.10 -0.83 0.00 0.00 0.00 174.94 174.91 1xe7 s GLY 93 N -0.24 1.84 0.64 6.18 0.00 0.54 -3.56 107.32 112.73 1xe7 s GLY 93 Ca 0.03 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 1xe7 s GLY 93 CO -0.00 0.79 1.14 0.54 0.00 0.00 0.00 173.10 175.57 1xe7 s LYS 94 N 1.35 2.83 0.05 2.90 -0.14 0.17 -1.28 119.74 125.62 1xe7 s LYS 94 Ca -0.01 1.54 -0.36 0.00 -1.36 0.00 0.00 55.97 55.77 1xe7 s LYS 94 Cb -0.20 -1.94 -0.15 0.00 -1.68 0.00 0.00 37.83 33.85 1xe7 s LYS 94 CO 0.01 -1.25 1.49 1.19 -0.76 0.00 0.00 175.35 176.03 1xe7 n PHE 95 N -2.14 1.84 -3.42 3.18 0.99 -0.02 -4.66 117.46 113.24 1xe7 n PHE 95 Ca 0.11 0.48 -0.12 0.00 -0.00 0.00 0.00 57.45 57.92 1xe7 n PHE 95 Cb 0.51 -2.43 -0.02 0.00 -1.00 0.00 0.00 39.48 36.54 1xe7 n PHE 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1xe7 s HIS 96 N 1.21 -0.54 0.13 1.38 -3.43 -0.92 -1.29 115.29 111.82 1xe7 s HIS 96 Ca 0.85 0.34 -0.00 0.00 -0.80 0.00 0.00 55.06 55.45 1xe7 s HIS 96 Cb -0.87 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 30.79 1xe7 s HIS 96 CO 0.47 -0.85 0.03 -1.59 -2.00 0.00 0.00 174.74 170.80 1xe7 s LYS 97 N -3.71 0.93 0.03 -0.38 -2.85 0.68 -1.05 119.74 113.39 1xe7 s LYS 97 Ca 0.01 -1.43 0.02 0.00 -1.00 0.00 0.00 55.97 53.57 1xe7 s LYS 97 Cb -0.01 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1xe7 s LYS 97 CO -0.13 -0.20 -0.08 1.21 0.10 0.00 0.00 175.35 176.25 1xe7 s ASN 98 N -3.06 0.88 0.46 0.03 3.84 -1.26 -1.77 114.94 114.05 1xe7 s ASN 98 Ca 0.22 -0.45 0.14 0.00 0.21 0.00 0.00 52.86 52.97 1xe7 s ASN 98 Cb 0.07 0.00 1.04 0.00 -0.55 0.00 0.00 41.25 41.82 1xe7 s ASN 98 CO 0.01 -0.13 2.03 0.40 -2.79 0.00 0.00 177.10 176.61 1xe7 h ILE 99 N 4.60 1.10 -2.91 -5.21 1.08 -1.60 0.26 117.51 114.84 1xe7 h ILE 99 Ca -0.34 -0.45 -0.54 0.00 -0.39 0.00 0.00 64.86 63.13 1xe7 h ILE 99 Cb 1.20 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 1xe7 h ILE 99 CO 0.43 0.13 -0.32 0.20 -0.69 0.00 0.00 178.15 177.90 1xe7 s ASN 100 N -6.99 6.40 0.51 1.72 0.01 -1.26 -4.12 114.94 111.21 1xe7 s ASN 100 Ca -0.05 0.44 -0.20 0.00 -0.71 0.00 0.00 52.86 52.35 1xe7 s ASN 100 Cb 0.16 -2.03 -0.07 0.00 0.41 0.00 0.00 41.25 39.72 1xe7 s ASN 100 CO 0.70 -0.04 1.07 0.00 -1.51 0.00 0.00 177.10 177.31 1xe7 s ARG 101 N -3.25 3.62 -0.06 -0.60 1.70 -1.26 -3.99 118.95 115.10 1xe7 s ARG 101 Ca 0.39 1.43 0.02 0.00 -0.47 0.00 0.00 55.73 57.10 1xe7 s ARG 101 Cb -0.11 -2.06 0.01 0.00 -0.57 0.00 0.00 34.95 32.22 1xe7 s ARG 101 CO 0.29 -0.60 -0.12 0.42 -1.08 0.00 0.00 175.30 174.20 1xe7 s ILE 102 N -1.96 1.15 -0.14 4.99 1.01 -0.58 -3.93 121.20 121.75 1xe7 s ILE 102 Ca 0.69 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 1xe7 s ILE 102 Cb -0.19 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1xe7 s ILE 102 CO 0.24 0.36 0.52 -0.63 0.00 0.00 0.00 174.94 175.42 1xe7 s ILE 103 N 0.63 5.14 -0.08 2.92 1.01 -0.45 -1.57 121.20 128.80 1xe7 s ILE 103 Ca -0.14 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.55 1xe7 s ILE 103 Cb -0.16 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1xe7 s ILE 103 CO 0.04 0.27 -0.18 -1.00 0.00 0.00 0.00 174.94 174.07 1xe7 s HIS 104 N 1.00 2.65 -0.14 3.97 3.76 0.03 -0.74 115.29 125.82 1xe7 s HIS 104 Ca 0.27 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1xe7 s HIS 104 Cb -0.15 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.87 1xe7 s HIS 104 CO 0.11 -0.09 -0.09 0.42 -0.85 0.00 0.00 174.74 174.24 1xe7 s ILE 105 N -0.16 1.21 0.23 0.60 1.01 -0.07 -1.81 121.20 122.20 1xe7 s ILE 105 Ca -0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1xe7 s ILE 105 Cb -0.14 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 1xe7 s ILE 105 CO 0.03 0.31 1.26 -0.22 0.00 0.00 0.00 174.94 176.33 1xe7 s LEU 106 N 1.62 4.44 -0.02 2.97 2.96 -0.29 -1.12 118.68 129.24 1xe7 s LEU 106 Ca 0.03 2.40 -0.01 0.00 -0.22 0.00 0.00 54.13 56.34 1xe7 s LEU 106 Cb -0.14 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1xe7 s LEU 106 CO -0.09 -0.45 -0.02 0.00 -1.32 0.00 0.00 176.35 174.47 1xe7 n GLN 107 N 2.16 0.04 -3.75 1.98 6.02 -0.22 -4.92 117.38 118.68 1xe7 n GLN 107 Ca 0.04 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.91 1xe7 n GLN 107 Cb 0.43 -0.71 -0.09 0.00 1.02 0.00 0.00 30.24 30.89 1xe7 n GLN 107 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xe7 s ARG 108 N -2.03 0.59 1.48 -1.09 0.52 -0.64 -4.99 118.95 112.78 1xe7 s ARG 108 Ca -0.02 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1xe7 s ARG 108 Cb 0.01 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1xe7 s ARG 108 CO 0.03 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1xe7 n GLY 109 N 1.80 -1.64 3.03 -3.53 0.00 -1.26 -0.31 105.19 103.28 1xe7 n GLY 109 Ca -0.19 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 1xe7 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe7 s LYS 110 N 0.00 0.39 0.39 1.61 1.02 -1.23 -4.62 119.74 117.30 1xe7 s LYS 110 Ca 0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 1xe7 s LYS 110 Cb 0.00 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.51 1xe7 s LYS 110 CO 0.00 -0.08 0.76 0.41 -0.92 0.00 0.00 175.35 175.52 1xe7 n GLY 111 N 1.41 1.08 2.92 -3.33 0.00 -0.82 -2.21 105.19 104.25 1xe7 n GLY 111 Ca -0.23 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1xe7 n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xe7 s GLN 112 N -2.14 0.08 0.08 1.61 0.74 -0.02 -0.39 119.66 119.61 1xe7 s GLN 112 Ca 0.17 0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.82 1xe7 s GLN 112 Cb -0.05 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 1xe7 s GLN 112 CO 0.12 -0.09 0.08 0.71 -0.55 0.00 0.00 175.29 175.56 1xe7 s TYR 113 N 0.57 3.18 -0.08 1.67 1.51 -0.49 -1.26 117.35 122.46 1xe7 s TYR 113 Ca -0.04 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1xe7 s TYR 113 Cb -0.06 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1xe7 s TYR 113 CO -0.02 0.52 -0.07 0.08 -1.11 0.00 0.00 175.55 174.95 1xe7 s VAL 114 N -1.38 0.83 -0.04 0.71 1.01 -0.26 -2.15 120.40 119.11 1xe7 s VAL 114 Ca 0.29 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1xe7 s VAL 114 Cb -0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1xe7 s VAL 114 CO 0.22 0.31 -0.18 -0.76 0.00 0.00 0.00 175.10 174.69 1xe7 s LEU 115 N 1.24 2.51 -0.22 3.92 1.43 0.19 -1.60 118.68 126.15 1xe7 s LEU 115 Ca -0.05 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1xe7 s LEU 115 Cb -0.14 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1xe7 s LEU 115 CO -0.02 0.33 -0.12 -0.69 0.23 0.00 0.00 176.35 176.08 1xe7 s VAL 116 N -0.64 1.89 0.53 -1.59 1.01 0.29 -1.06 120.40 120.83 1xe7 s VAL 116 Ca 0.10 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 1xe7 s VAL 116 Cb -0.11 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1xe7 s VAL 116 CO 0.00 0.16 0.90 -0.31 0.00 0.00 0.00 175.10 175.85 1xe7 s TYR 117 N 1.28 3.56 0.35 5.22 1.51 -0.29 -1.31 117.35 127.68 1xe7 s TYR 117 Ca -0.03 1.10 0.10 0.00 -1.01 0.00 0.00 57.07 57.23 1xe7 s TYR 117 Cb -0.17 -2.54 0.84 0.00 -0.11 0.00 0.00 41.96 39.99 1xe7 s TYR 117 CO -0.08 -0.42 1.83 -1.35 -1.11 0.00 0.00 175.55 174.42 1xe7 h PRO 118 N 0.24 0.65 0.00 -1.71 0.11 -1.90 0.13 132.00 129.51 1xe7 h PRO 118 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xe7 h PRO 118 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xe7 h PRO 118 CO 0.62 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 1xe7 n ASP 119 N -4.61 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.49 1xe7 n ASP 119 Ca 0.20 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1xe7 n ASP 119 Cb 0.55 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1xe7 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xe7 n GLY 120 N 0.74 0.24 3.77 6.12 0.00 0.44 -5.01 105.19 111.48 1xe7 n GLY 120 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1xe7 n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xe7 s GLN 121 N -0.86 4.14 -0.08 1.61 0.74 -1.26 -4.64 119.66 119.31 1xe7 s GLN 121 Ca 0.00 2.24 0.03 0.00 0.05 0.00 0.00 55.36 57.68 1xe7 s GLN 121 Cb 0.00 -2.91 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 1xe7 s GLN 121 CO 0.00 -0.38 -0.19 0.08 -0.55 0.00 0.00 175.29 174.25 1xe7 s VAL 122 N -1.19 2.60 0.01 1.34 1.01 -1.26 -1.14 120.40 121.78 1xe7 s VAL 122 Ca 0.53 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1xe7 s VAL 122 Cb -0.40 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1xe7 s VAL 122 CO 0.53 0.56 -0.17 -0.54 0.00 0.00 0.00 175.10 175.48 1xe7 s LYS 123 N -0.11 1.25 -0.05 2.72 1.02 -0.22 -4.96 119.74 119.39 1xe7 s LYS 123 Ca -0.03 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 1xe7 s LYS 123 Cb -0.14 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1xe7 s LYS 123 CO 0.04 0.33 0.12 0.45 -0.92 0.00 0.00 175.35 175.37 1xe7 s SER 124 N -0.76 -0.10 0.03 2.83 0.15 -1.26 0.55 113.70 115.14 1xe7 s SER 124 Ca 0.05 0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.80 1xe7 s SER 124 Cb -0.07 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1xe7 s SER 124 CO 0.00 -0.08 0.30 0.72 1.20 0.00 0.00 173.24 175.38 1xe7 s PHE 125 N 0.53 -0.12 0.10 3.44 -0.12 -0.91 -0.84 117.98 120.06 1xe7 s PHE 125 Ca -0.04 0.04 -0.10 0.00 -0.05 0.00 0.00 56.93 56.77 1xe7 s PHE 125 Cb -0.06 0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.36 1xe7 s PHE 125 CO -0.02 -0.47 0.43 0.15 -0.05 0.00 0.00 175.22 175.26 1xe7 s LYS 126 N -2.22 3.80 -0.10 1.99 1.02 -1.26 -1.39 119.74 121.58 1xe7 s LYS 126 Ca -0.07 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1xe7 s LYS 126 Cb -0.02 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1xe7 s LYS 126 CO -0.01 0.53 -0.14 0.08 -0.92 0.00 0.00 175.35 174.89 1xe7 s VAL 127 N -1.44 3.03 0.00 3.17 1.01 0.47 -2.24 120.40 124.39 1xe7 s VAL 127 Ca 0.35 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1xe7 s VAL 127 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1xe7 s VAL 127 CO 0.19 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1xe7 n GLY 128 N 3.05 -0.82 0.35 4.51 0.00 -0.54 -1.94 105.19 109.79 1xe7 n GLY 128 Ca -0.18 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.84 1xe7 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xe7 n PHE 129 N -0.43 0.00 -2.24 1.61 3.01 -1.26 -3.64 117.46 114.51 1xe7 n PHE 129 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1xe7 n PHE 129 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1xe7 n PHE 129 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1xe7 n ASP 130 N -0.37 4.67 0.25 4.37 2.03 -1.26 -4.75 116.55 121.49 1xe7 n ASP 130 Ca 0.12 -2.98 0.10 0.00 0.52 0.00 0.00 54.79 52.55 1xe7 n ASP 130 Cb 0.39 -1.58 0.65 0.00 -0.72 0.00 0.00 41.12 39.86 1xe7 n ASP 130 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1xe7 h TYR 131 N 6.23 0.00 0.00 -0.67 -0.00 -1.81 -2.16 116.97 118.55 1xe7 h TYR 131 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.18 1xe7 h TYR 131 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.42 1xe7 h TYR 131 CO 1.32 0.15 -0.02 0.87 -0.00 0.00 0.00 178.16 180.48 1xe7 h LYS 132 N 0.00 0.00 -0.53 0.10 1.57 -1.87 -1.14 116.57 114.69 1xe7 h LYS 132 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1xe7 h LYS 132 Cb 0.35 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1xe7 h LYS 132 CO 0.02 0.02 0.14 0.09 -0.57 0.00 0.00 179.45 179.15 1xe7 n ASN 133 N -3.83 3.85 0.00 0.86 3.02 -0.83 -4.96 115.26 113.38 1xe7 n ASN 133 Ca -0.03 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.17 1xe7 n ASN 133 Cb 0.11 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1xe7 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xe7 n GLY 134 N -0.60 0.97 3.80 7.41 0.00 -0.43 -5.06 105.19 111.27 1xe7 n GLY 134 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1xe7 n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xe7 s GLU 135 N -0.52 3.95 0.18 1.61 2.02 -1.12 -4.74 118.70 120.08 1xe7 s GLU 135 Ca 0.00 1.35 0.11 0.00 0.02 0.00 0.00 54.97 56.44 1xe7 s GLU 135 Cb 0.00 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1xe7 s GLU 135 CO 0.00 -0.30 -0.20 0.14 0.02 0.00 0.00 175.26 174.91 1xe7 s VAL 136 N -1.95 2.57 0.00 2.63 -7.23 -0.95 -4.03 120.40 111.45 1xe7 s VAL 136 Ca 0.65 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1xe7 s VAL 136 Cb -0.16 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1xe7 s VAL 136 CO 0.20 -0.09 0.62 -1.54 -0.31 0.00 0.00 175.10 173.98 1xe7 n SER 137 N 0.28 1.23 -3.78 4.85 3.41 -1.25 -1.47 113.62 116.88 1xe7 n SER 137 Ca -0.13 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 57.11 1xe7 n SER 137 Cb 0.55 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1xe7 n SER 137 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xe7 s GLN 138 N -0.24 0.13 -0.22 4.33 -0.21 -1.26 -1.13 119.66 121.05 1xe7 s GLN 138 Ca 0.00 0.31 -0.22 0.00 0.02 0.00 0.00 55.36 55.47 1xe7 s GLN 138 Cb 0.00 -0.07 0.06 0.00 1.00 0.00 0.00 33.01 34.00 1xe7 s GLN 138 CO 0.00 -0.11 0.62 1.67 -2.12 0.00 0.00 175.29 175.36 1xe7 s TRP 139 N 0.74 -0.68 -0.14 0.91 -2.14 -0.75 -5.01 118.94 111.89 1xe7 s TRP 139 Ca -0.06 1.61 -0.02 0.00 2.66 0.00 0.00 56.10 60.30 1xe7 s TRP 139 Cb -0.07 0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.52 1xe7 s TRP 139 CO -0.04 -0.35 -0.08 0.08 -2.66 0.00 0.00 176.95 173.90 1xe7 s VAL 140 N 0.19 3.54 -0.28 -0.66 1.01 -1.26 -0.79 120.40 122.15 1xe7 s VAL 140 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1xe7 s VAL 140 Cb -0.04 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1xe7 s VAL 140 CO 0.02 0.52 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 1xe7 s VAL 141 N 0.23 4.09 0.83 2.92 1.01 -0.61 -4.96 120.40 123.90 1xe7 s VAL 141 Ca -0.05 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1xe7 s VAL 141 Cb -0.14 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.28 1xe7 s VAL 141 CO 0.04 0.15 1.20 -2.84 0.00 0.00 0.00 175.10 173.65 1xe7 s PRO 142 N 1.54 1.52 0.57 2.72 0.02 -1.26 -1.52 135.00 138.59 1xe7 s PRO 142 Ca 0.04 1.73 -0.20 0.00 0.02 0.00 0.00 61.00 62.59 1xe7 s PRO 142 Cb -0.17 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1xe7 s PRO 142 CO 0.03 -2.30 1.25 0.20 -0.33 0.00 0.00 177.00 175.85 1xe7 s GLY 143 N -2.24 2.80 0.00 0.52 0.00 -1.26 -3.13 107.32 104.01 1xe7 s GLY 143 Ca 0.72 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.54 1xe7 s GLY 143 CO 0.52 1.53 0.00 0.61 0.00 0.00 0.00 173.10 175.76 1xe7 n GLY 144 N 0.60 1.13 3.69 0.20 0.00 0.92 -4.94 105.19 106.80 1xe7 n GLY 144 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1xe7 n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe7 s VAL 145 N -3.46 5.37 0.21 1.61 1.01 -1.19 -4.50 120.40 119.45 1xe7 s VAL 145 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1xe7 s VAL 145 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 1xe7 s VAL 145 CO 0.00 0.38 1.12 -0.36 0.00 0.00 0.00 175.10 176.25 1xe7 s PHE 146 N 0.73 3.55 0.01 5.22 0.40 -0.42 -4.47 117.98 122.99 1xe7 s PHE 146 Ca 0.09 1.59 0.03 0.00 -0.60 0.00 0.00 56.93 58.03 1xe7 s PHE 146 Cb -0.12 -3.32 -0.01 0.00 0.51 0.00 0.00 43.02 40.08 1xe7 s PHE 146 CO 0.02 -0.74 -0.09 -1.59 0.70 0.00 0.00 175.22 173.53 1xe7 s LYS 147 N -0.67 0.66 0.05 0.44 -2.85 -0.22 -0.54 119.74 116.61 1xe7 s LYS 147 Ca 0.49 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 55.05 1xe7 s LYS 147 Cb -0.31 -0.62 -0.04 0.00 -2.06 0.00 0.00 37.83 34.81 1xe7 s LYS 147 CO 0.37 0.16 -0.02 0.00 0.10 0.00 0.00 175.35 175.96 1xe7 s ALA 148 N -0.41 0.46 0.07 0.59 0.00 -0.63 -2.18 121.76 119.67 1xe7 s ALA 148 Ca 0.01 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1xe7 s ALA 148 Cb -0.04 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1xe7 s ALA 148 CO -0.00 -0.36 0.20 -1.54 0.00 0.00 0.00 175.76 174.06 1xe7 s SER 149 N -2.82 0.07 0.03 0.00 1.04 -0.41 -1.10 113.70 110.51 1xe7 s SER 149 Ca 0.05 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 1xe7 s SER 149 Cb 0.07 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 1xe7 s SER 149 CO -0.09 -0.66 0.15 0.72 0.98 0.00 0.00 173.24 174.34 1xe7 s PHE 150 N -3.30 0.09 0.34 5.02 -0.71 -0.39 -0.34 117.98 118.70 1xe7 s PHE 150 Ca 0.01 -0.31 -0.28 0.00 -1.04 0.00 0.00 56.93 55.31 1xe7 s PHE 150 Cb 0.02 -0.07 -0.10 0.00 -1.21 0.00 0.00 43.02 41.67 1xe7 s PHE 150 CO -0.08 -0.38 1.22 -1.17 -1.34 0.00 0.00 175.22 173.47 1xe7 s LEU 151 N -1.92 4.38 -0.02 -1.99 2.96 -0.41 -0.84 118.68 120.84 1xe7 s LEU 151 Ca -0.07 2.49 0.05 0.00 -0.22 0.00 0.00 54.13 56.38 1xe7 s LEU 151 Cb -0.03 -3.76 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1xe7 s LEU 151 CO -0.03 -0.50 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.60 1xe7 s LEU 152 N -1.94 2.71 0.29 -0.68 1.43 -0.94 -4.74 118.68 114.81 1xe7 s LEU 152 Ca 0.50 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 1xe7 s LEU 152 Cb -0.35 -1.56 -0.13 0.00 0.03 0.00 0.00 46.19 44.18 1xe7 s LEU 152 CO 0.46 0.32 1.36 -2.65 0.23 0.00 0.00 176.35 176.06 1xe7 n PRO 153 N 2.05 2.11 -3.64 1.29 -0.02 -1.26 -4.48 135.00 131.04 1xe7 n PRO 153 Ca -0.17 0.74 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1xe7 n PRO 153 Cb 0.52 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 1xe7 n PRO 153 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xe7 s ASN 154 N 0.02 -0.70 0.09 2.55 2.20 -1.26 -4.90 114.94 112.95 1xe7 s ASN 154 Ca 0.62 1.15 0.00 0.00 -0.94 0.00 0.00 52.86 53.69 1xe7 s ASN 154 Cb -0.60 1.26 -0.26 0.00 -2.00 0.00 0.00 41.25 39.65 1xe7 s ASN 154 CO 0.55 -0.19 1.17 -0.33 -2.94 0.00 0.00 177.10 175.37 1xe7 h GLU 155 N 6.13 0.17 -0.77 3.55 5.08 -1.96 0.35 114.58 127.12 1xe7 h GLU 155 Ca -0.29 -0.28 0.22 0.00 -1.00 0.00 0.00 59.36 58.00 1xe7 h GLU 155 Cb 1.20 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1xe7 h GLU 155 CO 0.16 1.12 0.55 1.05 -1.00 0.00 0.00 179.01 180.89 1xe7 h GLU 156 N 0.05 0.04 -0.37 2.33 4.11 -1.99 -2.88 114.58 115.87 1xe7 h GLU 156 Ca -0.10 -0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.05 1xe7 h GLU 156 Cb 1.90 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.79 1xe7 h GLU 156 CO 0.17 0.03 -0.93 0.34 0.07 0.00 0.00 179.01 178.68 1xe7 n PHE 157 N -4.33 1.24 -3.99 2.06 7.35 -1.25 -4.91 117.46 113.63 1xe7 n PHE 157 Ca 0.15 -1.74 -0.31 0.00 -0.76 0.00 0.00 57.45 54.79 1xe7 n PHE 157 Cb 0.81 -0.25 0.01 0.00 0.35 0.00 0.00 39.48 40.40 1xe7 n PHE 157 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1xe7 n ASP 158 N -0.48 -3.60 -3.63 -2.13 9.92 -1.09 -1.07 116.55 114.48 1xe7 n ASP 158 Ca 0.19 -0.87 -0.24 0.00 -0.53 0.00 0.00 54.79 53.33 1xe7 n ASP 158 Cb 0.90 -3.49 0.08 0.00 -0.64 0.00 0.00 41.12 37.96 1xe7 n ASP 158 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xe7 n ASN 159 N -2.82 -6.19 -4.73 -2.24 3.02 0.11 -4.89 115.26 97.53 1xe7 n ASN 159 Ca -0.01 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.72 1xe7 n ASN 159 Cb 0.55 -4.94 -0.08 0.00 -0.61 0.00 0.00 39.78 34.70 1xe7 n ASN 159 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xe7 s GLY 160 N -3.34 2.34 -0.27 7.41 0.00 -0.23 -3.95 107.32 109.29 1xe7 s GLY 160 Ca 0.59 -2.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1xe7 s GLY 160 CO 0.74 -1.92 0.33 -0.12 0.00 0.00 0.00 173.10 172.13 1xe7 s PHE 161 N -2.60 -0.66 -0.15 1.90 5.36 -0.71 -3.48 117.98 117.63 1xe7 s PHE 161 Ca 0.41 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.59 1xe7 s PHE 161 Cb 0.04 -0.26 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 1xe7 s PHE 161 CO 0.22 -0.85 -0.09 -1.17 -1.46 0.00 0.00 175.22 171.87 1xe7 s LEU 162 N 2.45 2.90 0.24 6.12 2.96 0.57 -1.28 118.68 132.64 1xe7 s LEU 162 Ca 0.10 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1xe7 s LEU 162 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1xe7 s LEU 162 CO -0.26 0.14 0.13 0.27 -1.32 0.00 0.00 176.35 175.31 1xe7 s ILE 163 N 0.54 0.24 0.04 6.68 -4.36 -0.64 -1.05 121.20 122.64 1xe7 s ILE 163 Ca -0.06 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.42 1xe7 s ILE 163 Cb -0.15 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1xe7 s ILE 163 CO 0.03 0.00 -0.25 -0.44 0.24 0.00 0.00 174.94 174.52 1xe7 s SER 164 N -3.25 3.05 -0.03 4.36 0.01 -0.28 -1.30 113.70 116.26 1xe7 s SER 164 Ca 0.38 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 57.12 1xe7 s SER 164 Cb 0.07 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1xe7 s SER 164 CO 0.14 0.25 -0.19 -1.61 0.41 0.00 0.00 173.24 172.24 1xe7 s GLU 165 N -1.19 1.70 -0.15 12.44 2.02 -0.62 -0.89 118.70 132.01 1xe7 s GLU 165 Ca 0.11 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1xe7 s GLU 165 Cb -0.10 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.58 1xe7 s GLU 165 CO 0.02 0.36 -0.14 0.08 0.02 0.00 0.00 175.26 175.60 1xe7 s VAL 166 N -0.28 1.57 -0.15 2.63 1.01 0.09 -1.83 120.40 123.44 1xe7 s VAL 166 Ca 0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1xe7 s VAL 166 Cb -0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1xe7 s VAL 166 CO 0.00 0.44 -0.00 -0.69 0.00 0.00 0.00 175.10 174.85 1xe7 s VAL 167 N 1.48 4.22 -0.06 2.92 1.01 -0.70 -1.34 120.40 127.93 1xe7 s VAL 167 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1xe7 s VAL 167 Cb -0.13 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1xe7 s VAL 167 CO -0.11 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 1xe7 s VAL 168 N 0.21 -0.04 1.05 2.92 1.01 -1.25 -1.78 120.40 122.51 1xe7 s VAL 168 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1xe7 s VAL 168 Cb -0.13 -0.25 0.22 0.00 0.00 0.00 0.00 36.38 36.22 1xe7 s VAL 168 CO 0.02 0.14 1.07 -2.84 0.00 0.00 0.00 175.10 173.49 1xe7 s PRO 169 N 2.14 0.00 0.59 2.72 0.02 -1.26 -4.41 135.00 134.80 1xe7 s PRO 169 Ca 0.05 0.99 -0.20 0.00 0.02 0.00 0.00 61.00 61.86 1xe7 s PRO 169 Cb -0.12 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 1xe7 s PRO 169 CO -0.04 -3.15 1.19 0.41 -0.33 0.00 0.00 177.00 175.08 1xe7 n GLY 170 N 0.20 0.28 3.59 0.52 0.00 0.11 -4.77 105.19 105.13 1xe7 n GLY 170 Ca 0.06 -0.08 -0.49 0.00 0.00 0.00 0.00 46.02 45.51 1xe7 n GLY 170 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xe7 n PHE 171 N -1.53 1.43 -3.75 1.61 7.35 -1.26 -4.67 117.46 116.64 1xe7 n PHE 171 Ca 0.13 0.64 -0.13 0.00 -0.76 0.00 0.00 57.45 57.34 1xe7 n PHE 171 Cb 0.46 -2.31 -0.13 0.00 0.35 0.00 0.00 39.48 37.86 1xe7 n PHE 171 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xe7 s ASP 172 N 0.10 -0.25 0.57 -2.13 -1.08 -1.26 -4.95 116.67 107.68 1xe7 s ASP 172 Ca 0.74 0.49 0.27 0.00 -0.52 0.00 0.00 52.55 53.53 1xe7 s ASP 172 Cb -0.84 0.42 1.54 0.00 -1.46 0.00 0.00 42.92 42.58 1xe7 s ASP 172 CO 0.51 -0.13 2.04 -0.26 0.52 0.00 0.00 175.17 177.85 1xe7 h PHE 173 N 6.66 0.00 0.00 -5.34 -1.00 -1.94 0.21 116.94 115.53 1xe7 h PHE 173 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1xe7 h PHE 173 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1xe7 h PHE 173 CO 0.38 0.00 0.00 0.93 -1.61 0.00 0.00 178.31 178.01 1xe7 h GLU 174 N 0.00 0.00 -0.05 1.51 4.39 -2.00 -2.14 114.58 116.29 1xe7 h GLU 174 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1xe7 h GLU 174 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1xe7 h GLU 174 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1xe7 n ASP 175 N -2.84 2.44 -4.75 1.42 8.00 0.06 -4.99 116.55 115.88 1xe7 n ASP 175 Ca -0.01 -1.71 -0.33 0.00 0.71 0.00 0.00 54.79 53.45 1xe7 n ASP 175 Cb 0.17 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 1xe7 n ASP 175 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xe7 s HIS 176 N -1.35 3.23 -0.17 1.24 2.46 -0.80 -1.37 115.29 118.52 1xe7 s HIS 176 Ca 0.20 0.18 -0.08 0.00 0.47 0.00 0.00 55.06 55.84 1xe7 s HIS 176 Cb 0.14 -1.73 0.06 0.00 -0.13 0.00 0.00 32.58 30.92 1xe7 s HIS 176 CO 0.21 0.53 0.39 0.95 -2.47 0.00 0.00 174.74 174.34 1xe7 s THR 177 N -1.13 -0.18 0.01 0.89 -4.23 -0.73 -4.98 115.64 105.29 1xe7 s THR 177 Ca 0.21 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1xe7 s THR 177 Cb -0.12 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1xe7 s THR 177 CO 0.11 0.05 0.19 0.72 -0.54 0.00 0.00 174.62 175.15 1xe7 s PHE 178 N 1.71 3.53 -0.04 3.99 -0.12 -1.26 -0.23 117.98 125.57 1xe7 s PHE 178 Ca -0.07 0.32 -0.30 0.00 -0.05 0.00 0.00 56.93 56.83 1xe7 s PHE 178 Cb -0.10 -1.80 -0.06 0.00 -0.63 0.00 0.00 43.02 40.43 1xe7 s PHE 178 CO -0.12 0.63 1.70 -1.17 -0.05 0.00 0.00 175.22 176.20 1xe7 s LEU 179 N -2.12 4.34 0.26 -1.99 2.96 -0.41 -4.89 118.68 116.82 1xe7 s LEU 179 Ca 0.30 2.30 -0.04 0.00 -0.22 0.00 0.00 54.13 56.47 1xe7 s LEU 179 Cb -0.13 -3.53 0.35 0.00 0.50 0.00 0.00 46.19 43.37 1xe7 s LEU 179 CO 0.22 -0.94 1.92 0.11 -1.32 0.00 0.00 176.35 176.34 1xe7 h LYS 180 N 9.65 1.22 0.00 1.98 1.57 -1.93 -3.37 116.57 125.70 1xe7 h LYS 180 Ca -0.41 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xe7 h LYS 180 Cb 1.19 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1xe7 h LYS 180 CO 0.95 0.81 0.00 0.41 -0.57 0.00 0.00 179.45 181.05 1xe7 n GLY 181 N -1.38 -1.09 0.23 3.86 0.00 -1.26 -4.49 105.19 101.06 1xe7 n GLY 181 Ca 0.13 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.37 1xe7 n GLY 181 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xe7 h GLU 182 N 0.00 0.00 -0.26 1.61 4.81 -1.91 -2.30 114.58 116.53 1xe7 h GLU 182 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xe7 h GLU 182 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xe7 h GLU 182 CO 0.00 0.15 0.06 -0.44 -0.73 0.00 0.00 179.01 178.05 1xe7 h ASP 183 N 0.00 0.39 -0.12 1.04 3.32 -1.94 0.59 116.42 119.71 1xe7 h ASP 183 Ca -0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1xe7 h ASP 183 Cb 0.28 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1xe7 h ASP 183 CO 0.02 0.53 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.83 1xe7 h GLU 184 N 0.25 0.49 -0.32 3.56 4.81 -1.89 -2.48 114.58 119.00 1xe7 h GLU 184 Ca 0.08 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1xe7 h GLU 184 Cb 0.29 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1xe7 h GLU 184 CO 0.00 0.63 0.07 1.25 -0.73 0.00 0.00 179.01 180.24 1xe7 h LEU 185 N 0.45 0.48 -0.98 1.64 5.85 -1.08 -2.84 115.31 118.83 1xe7 h LEU 185 Ca 0.08 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1xe7 h LEU 185 Cb 0.53 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1xe7 h LEU 185 CO 0.03 0.60 0.63 0.11 -0.34 0.00 0.00 178.44 179.48 1xe7 h LYS 186 N 0.35 1.12 0.00 1.25 1.57 -0.57 -0.15 116.57 120.14 1xe7 h LYS 186 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1xe7 h LYS 186 Cb 0.31 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1xe7 h LYS 186 CO 0.00 0.74 -0.13 1.25 -0.57 0.00 0.00 179.45 180.75 1xe7 h HIS 187 N 1.16 0.00 0.06 -1.35 2.76 -1.22 0.31 115.15 116.87 1xe7 h HIS 187 Ca 0.42 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.35 1xe7 h HIS 187 Cb 0.16 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1xe7 h HIS 187 CO -0.01 0.13 -1.30 -0.07 -1.30 0.00 0.00 177.93 175.38 1xe7 h LEU 188 N 0.00 0.21 -0.75 0.26 3.38 -0.96 -3.42 115.31 114.02 1xe7 h LEU 188 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1xe7 h LEU 188 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xe7 h LEU 188 CO 0.02 1.55 -0.08 1.33 0.09 0.00 0.00 178.44 181.35 1xe7 n VAL 189 N -4.12 0.00 0.00 1.22 0.24 -0.21 -4.05 118.33 111.41 1xe7 n VAL 189 Ca -0.27 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1xe7 n VAL 189 Cb 0.80 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 1xe7 n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xe7 n GLY 190 N 0.59 0.96 0.13 7.63 0.00 0.11 -4.41 105.19 110.20 1xe7 n GLY 190 Ca 0.02 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 1xe7 n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xe7 h PRO 191 N 0.00 0.07 -0.10 1.61 0.13 -1.93 -0.23 132.00 131.55 1xe7 h PRO 191 Ca 0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1xe7 h PRO 191 Cb 0.00 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.11 1xe7 h PRO 191 CO 0.00 0.05 0.05 1.05 -0.23 0.00 0.00 178.00 178.92 1xe7 h GLU 192 N 0.07 0.15 -0.28 0.86 4.11 -1.97 -1.26 114.58 116.26 1xe7 h GLU 192 Ca 0.14 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.43 1xe7 h GLU 192 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xe7 h GLU 192 CO -0.24 0.20 -0.33 -0.22 0.07 0.00 0.00 179.01 178.49 1xe7 h LYS 193 N 0.06 0.59 -0.54 1.06 1.63 -1.76 -2.89 116.57 114.73 1xe7 h LYS 193 Ca 0.04 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.54 1xe7 h LYS 193 Cb 0.09 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1xe7 h LYS 193 CO -0.01 0.85 0.23 0.00 -3.45 0.00 0.00 179.45 177.07 1xe7 h ALA 194 N 1.14 1.38 -0.53 5.00 0.00 -0.83 -1.84 119.26 123.58 1xe7 h ALA 194 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xe7 h ALA 194 Cb 0.81 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xe7 h ALA 194 CO 0.07 0.47 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1xe7 h ALA 195 N 1.48 0.72 -0.24 0.00 0.00 -1.03 0.26 119.26 120.45 1xe7 h ALA 195 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1xe7 h ALA 195 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xe7 h ALA 195 CO -0.02 0.54 -0.17 1.49 0.00 0.00 0.00 179.25 181.09 1xe7 h GLU 196 N 0.81 0.41 -0.07 0.00 4.81 -1.26 -3.04 114.58 116.25 1xe7 h GLU 196 Ca 0.15 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xe7 h GLU 196 Cb 0.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xe7 h GLU 196 CO 0.03 0.57 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 1xe7 n LEU 197 N -4.19 2.69 -0.32 1.64 4.77 -0.74 -4.55 117.00 116.30 1xe7 n LEU 197 Ca -0.00 -0.93 0.19 0.00 -0.03 0.00 0.00 56.01 55.24 1xe7 n LEU 197 Cb 0.34 -0.03 0.45 0.00 -2.33 0.00 0.00 43.42 41.84 1xe7 n LEU 197 CO 0.40 0.47 1.20 0.00 -1.33 0.00 0.00 177.39 178.13 1xe7 h ALA 198 N 4.60 2.03 0.00 -1.18 0.00 -0.82 0.20 119.26 124.09 1xe7 h ALA 198 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xe7 h ALA 198 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xe7 h ALA 198 CO 0.00 -0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.09 1xe7 h PHE 199 N 0.51 0.00 -0.05 0.00 -5.15 -1.82 -1.71 116.94 108.72 1xe7 h PHE 199 Ca 0.58 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.35 1xe7 h PHE 199 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 1xe7 h PHE 199 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 1xe7 n LEU 200 N -2.68 2.15 -4.51 2.10 4.77 0.06 -4.92 117.00 113.96 1xe7 n LEU 200 Ca -0.01 -0.74 -0.28 0.00 -0.03 0.00 0.00 56.01 54.96 1xe7 n LEU 200 Cb 0.15 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1xe7 n LEU 200 CO 0.19 0.37 -0.46 0.00 -1.33 0.00 0.00 177.39 176.16 1xe7 s ALA 201 N -1.96 2.77 0.95 -1.18 0.00 -0.65 -0.84 121.76 120.86 1xe7 s ALA 201 Ca 0.34 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1xe7 s ALA 201 Cb 0.20 -0.61 0.16 0.00 0.00 0.00 0.00 23.12 22.87 1xe7 s ALA 201 CO 0.32 0.49 1.10 -1.01 0.00 0.00 0.00 175.76 176.66 1xe7 s HIS 202 N -1.54 1.86 -1.60 0.00 3.76 -1.26 -4.91 115.29 111.60 1xe7 s HIS 202 Ca 0.22 1.48 0.13 0.00 -0.15 0.00 0.00 55.06 56.74 1xe7 s HIS 202 Cb -0.09 -3.20 0.10 0.00 1.11 0.00 0.00 32.58 30.50 1xe7 s HIS 202 CO 0.12 -2.82 0.91 -2.39 -0.85 0.00 0.00 174.74 169.71