#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xey s GLU 7 N 0.00 1.19 0.36 5.55 2.02 -1.26 -5.12 118.70 121.44 2xey s GLU 7 Ca 0.00 -1.43 -0.28 0.00 0.02 0.00 0.00 54.97 53.28 2xey s GLU 7 Cb 0.00 -1.03 -0.11 0.00 0.10 0.00 0.00 34.13 33.09 2xey s GLU 7 CO 0.00 0.18 1.41 -0.51 0.02 0.00 0.00 175.26 176.36 2xey s ASP 8 N -2.90 6.48 -0.09 -0.19 1.11 -1.26 -4.97 116.67 114.85 2xey s ASP 8 Ca 0.16 2.89 0.03 0.00 0.18 0.00 0.00 52.55 55.82 2xey s ASP 8 Cb -0.03 -2.66 -0.01 0.00 1.07 0.00 0.00 42.92 41.29 2xey s ASP 8 CO 0.05 -0.76 -0.19 0.26 1.18 0.00 0.00 175.17 175.71 2xey s TRP 9 N -1.14 2.63 0.29 4.23 0.51 -1.26 -3.04 118.94 121.17 2xey s TRP 9 Ca 0.52 -0.65 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 2xey s TRP 9 Cb -0.43 -1.71 0.44 0.00 -0.81 0.00 0.00 33.47 30.96 2xey s TRP 9 CO 0.58 -0.17 1.83 -0.44 -0.51 0.00 0.00 176.95 178.24 2xey h ASP 10 N 6.26 0.70 -5.01 2.95 5.19 -1.65 -3.47 116.42 121.39 2xey h ASP 10 Ca -0.30 -0.13 -0.22 0.00 -0.62 0.00 0.00 57.03 55.75 2xey h ASP 10 Cb 1.20 -0.18 0.16 0.00 0.18 0.00 0.00 39.33 40.68 2xey h ASP 10 CO 0.51 0.72 -0.69 0.18 -3.12 0.00 0.00 179.24 176.84 2xey n LEU 11 N -4.27 -4.63 -0.27 1.55 4.77 -1.26 -4.95 117.00 107.94 2xey n LEU 11 Ca 0.03 -0.56 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 2xey n LEU 11 Cb 0.24 -2.71 0.06 0.00 -2.33 0.00 0.00 43.42 38.67 2xey n LEU 11 CO 0.40 0.15 1.09 0.58 -1.33 0.00 0.00 177.39 178.28 2xey h VAL 12 N -1.08 1.24 -2.38 4.08 2.07 -1.70 -3.48 116.25 115.00 2xey h VAL 12 Ca -0.50 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2xey h VAL 12 Cb 1.26 0.28 -0.16 0.00 -1.52 0.00 0.00 31.29 31.15 2xey h VAL 12 CO 0.38 0.27 0.31 -1.58 0.02 0.00 0.00 177.57 176.97 2xey s GLN 13 N -5.75 1.03 -0.36 1.57 0.74 -1.13 -4.96 119.66 110.79 2xey s GLN 13 Ca -0.13 -0.16 -0.17 0.00 0.05 0.00 0.00 55.36 54.96 2xey s GLN 13 Cb 0.15 0.48 -0.00 0.00 1.10 0.00 0.00 33.01 34.73 2xey s GLN 13 CO 0.81 -0.40 0.43 0.95 -0.55 0.00 0.00 175.29 176.52 2xey s THR 14 N -2.59 5.10 0.08 -0.34 -4.23 -1.26 0.65 115.64 113.05 2xey s THR 14 Ca -0.02 0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.39 2xey s THR 14 Cb -0.01 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.83 2xey s THR 14 CO -0.04 -0.19 1.51 -0.07 -0.54 0.00 0.00 174.62 175.29 2xey h LEU 15 N 8.92 0.38 0.00 4.79 4.07 0.30 -3.46 115.31 130.31 2xey h LEU 15 Ca -0.29 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.36 2xey h LEU 15 Cb 1.13 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2xey h LEU 15 CO 0.74 0.60 0.00 0.61 -1.08 0.00 0.00 178.44 179.31 2xey n GLY 16 N -0.31 -0.34 0.00 0.83 0.00 -0.87 -4.99 105.19 99.51 2xey n GLY 16 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2xey n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xey n GLY 21 N 1.25 0.00 3.08 -0.02 0.00 -1.25 -4.11 105.19 104.14 2xey n GLY 21 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2xey n GLY 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xey s GLU 22 N 0.00 0.54 -0.16 1.61 -1.05 -0.46 -4.96 118.70 114.22 2xey s GLU 22 Ca 0.00 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 2xey s GLU 22 Cb 0.00 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2xey s GLU 22 CO 0.00 -0.12 -0.18 0.08 0.95 0.00 0.00 175.26 175.99 2xey s VAL 23 N -2.84 1.84 -0.06 1.83 1.01 -1.26 0.27 120.40 121.19 2xey s VAL 23 Ca -0.03 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2xey s VAL 23 Cb 0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2xey s VAL 23 CO -0.06 0.50 -0.19 -1.58 0.00 0.00 0.00 175.10 173.77 2xey s GLN 24 N 1.30 2.23 0.41 2.72 0.74 -0.84 0.25 119.66 126.46 2xey s GLN 24 Ca 0.03 -0.70 -0.26 0.00 0.05 0.00 0.00 55.36 54.49 2xey s GLN 24 Cb -0.13 -1.83 -0.09 0.00 1.10 0.00 0.00 33.01 32.06 2xey s GLN 24 CO -0.10 0.21 1.33 -1.17 -0.55 0.00 0.00 175.29 175.01 2xey s LEU 25 N 0.19 4.20 0.01 3.68 2.96 2.91 -2.57 118.68 130.06 2xey s LEU 25 Ca -0.10 2.71 0.05 0.00 -0.22 0.00 0.00 54.13 56.58 2xey s LEU 25 Cb -0.14 -3.90 -0.02 0.00 0.50 0.00 0.00 46.19 42.63 2xey s LEU 25 CO 0.04 -0.90 -0.15 0.00 -1.32 0.00 0.00 176.35 174.02 2xey s ALA 26 N -1.25 1.29 -0.05 5.97 0.00 0.44 -1.76 121.76 126.40 2xey s ALA 26 Ca 0.57 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2xey s ALA 26 Cb -0.39 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2xey s ALA 26 CO 0.51 0.29 -0.13 0.08 0.00 0.00 0.00 175.76 176.51 2xey s VAL 27 N -0.55 1.18 0.13 0.00 1.01 -1.26 0.19 120.40 121.11 2xey s VAL 27 Ca 0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2xey s VAL 27 Cb -0.07 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 2xey s VAL 27 CO 0.00 0.36 1.22 0.21 0.00 0.00 0.00 175.10 176.89 2xey s ASN 28 N 0.43 7.06 0.18 3.32 3.84 0.18 -1.56 114.94 128.40 2xey s ASN 28 Ca -0.10 2.16 -0.09 0.00 0.21 0.00 0.00 52.86 55.03 2xey s ASN 28 Cb -0.14 -2.59 0.07 0.00 -0.55 0.00 0.00 41.25 38.04 2xey s ASN 28 CO 0.03 -0.43 1.64 0.08 -2.79 0.00 0.00 177.10 175.63 2xey h ARG 29 N 5.99 1.09 0.02 0.43 0.11 -1.89 0.79 114.38 120.92 2xey h ARG 29 Ca -0.43 -0.34 -0.24 0.00 0.10 0.00 0.00 59.98 59.07 2xey h ARG 29 Cb 1.21 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 32.21 2xey h ARG 29 CO 0.78 1.05 -0.94 0.28 0.10 0.00 0.00 179.97 181.24 2xey h VAL 30 N 0.99 1.33 0.00 0.08 2.07 -1.93 -3.40 116.25 115.39 2xey h VAL 30 Ca 0.18 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2xey h VAL 30 Cb 0.55 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2xey h VAL 30 CO 0.03 0.68 -1.42 0.35 0.02 0.00 0.00 177.57 177.23 2xey n THR 31 N -3.96 0.00 -1.16 2.57 -2.24 -1.24 -5.01 114.28 103.26 2xey n THR 31 Ca -0.11 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 2xey n THR 31 Cb 0.84 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2xey n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2xey n GLU 32 N -1.82 -0.71 -2.30 -0.78 1.02 0.28 -4.93 120.64 111.40 2xey n GLU 32 Ca -0.02 0.58 -0.36 0.00 -0.02 0.00 0.00 57.16 57.34 2xey n GLU 32 Cb 0.25 -4.36 -0.01 0.00 -0.02 0.00 0.00 31.44 27.30 2xey n GLU 32 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2xey s GLU 33 N -2.01 3.67 -0.10 3.49 2.02 -1.26 -4.49 118.70 120.02 2xey s GLU 33 Ca 0.00 1.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.66 2xey s GLU 33 Cb 0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.93 2xey s GLU 33 CO 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 175.26 174.61 2xey s ALA 34 N -1.65 2.95 0.07 5.21 0.00 -1.25 0.51 121.76 127.61 2xey s ALA 34 Ca 0.66 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2xey s ALA 34 Cb -0.26 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2xey s ALA 34 CO 0.31 0.43 -0.09 0.14 0.00 0.00 0.00 175.76 176.55 2xey s VAL 35 N -0.34 0.77 -0.22 0.00 -7.23 0.52 -4.27 120.40 109.64 2xey s VAL 35 Ca 0.05 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2xey s VAL 35 Cb -0.12 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2xey s VAL 35 CO 0.02 -0.47 0.20 0.00 -0.31 0.00 0.00 175.10 174.54 2xey s ALA 36 N -1.97 3.62 -0.12 1.32 0.00 0.77 0.17 121.76 125.55 2xey s ALA 36 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2xey s ALA 36 Cb -0.06 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 2xey s ALA 36 CO -0.00 -0.09 -0.21 0.08 0.00 0.00 0.00 175.76 175.54 2xey s VAL 37 N 0.86 2.29 -0.11 0.00 1.01 -1.06 -0.27 120.40 123.12 2xey s VAL 37 Ca 0.10 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2xey s VAL 37 Cb -0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2xey s VAL 37 CO 0.03 0.55 0.42 -0.75 0.00 0.00 0.00 175.10 175.35 2xey s LYS 38 N 0.47 4.25 -0.28 2.72 2.20 -0.60 -1.99 119.74 126.50 2xey s LYS 38 Ca -0.14 0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 55.75 2xey s LYS 38 Cb -0.17 -3.40 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2xey s LYS 38 CO 0.06 0.27 0.09 0.42 -0.36 0.00 0.00 175.35 175.82 2xey s ILE 39 N 0.30 4.15 -0.17 5.43 1.01 0.14 -2.79 121.20 129.28 2xey s ILE 39 Ca 0.23 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2xey s ILE 39 Cb -0.15 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.26 2xey s ILE 39 CO 0.09 0.15 -0.19 -0.69 0.00 0.00 0.00 174.94 174.30 2xey s VAL 40 N 1.55 2.21 -0.69 2.92 1.01 -1.02 -1.35 120.40 125.02 2xey s VAL 40 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2xey s VAL 40 Cb -0.17 -1.92 0.41 0.00 0.00 0.00 0.00 36.38 34.70 2xey s VAL 40 CO 0.03 0.53 1.88 -0.67 0.00 0.00 0.00 175.10 176.87 2xey n ASP 41 N 4.43 7.13 -0.31 3.32 4.64 -1.26 -1.65 116.55 132.86 2xey n ASP 41 Ca -0.20 -3.80 0.28 0.00 -1.38 0.00 0.00 54.79 49.69 2xey n ASP 41 Cb 0.51 -0.91 0.50 0.00 -1.04 0.00 0.00 41.12 40.17 2xey n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2xey n GLU 50 N -0.71 -0.04 -0.28 -0.67 1.02 -1.26 -4.88 120.64 113.82 2xey n GLU 50 Ca 0.56 1.05 -0.03 0.00 -0.02 0.00 0.00 57.16 58.72 2xey n GLU 50 Cb 0.52 -1.97 0.14 0.00 -0.02 0.00 0.00 31.44 30.11 2xey n GLU 50 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2xey h ASN 51 N 0.00 1.02 -0.72 1.62 -1.24 -2.00 -1.60 115.58 112.66 2xey h ASN 51 Ca 0.69 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.55 2xey h ASN 51 Cb 1.99 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 40.75 2xey h ASN 51 CO -0.51 0.82 0.21 -0.29 -1.29 0.00 0.00 177.43 176.37 2xey h ILE 52 N 1.15 1.26 -0.68 2.57 6.09 -2.00 -2.45 117.51 123.46 2xey h ILE 52 Ca 0.29 -0.92 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 2xey h ILE 52 Cb 0.02 0.47 -0.03 0.00 0.47 0.00 0.00 36.82 37.76 2xey h ILE 52 CO -0.05 0.36 0.30 0.50 -3.07 0.00 0.00 178.15 176.19 2xey h LYS 53 N 1.09 0.99 -0.53 2.19 1.63 -1.77 -2.51 116.57 117.66 2xey h LYS 53 Ca 0.23 -0.16 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2xey h LYS 53 Cb 0.32 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2xey h LYS 53 CO -0.00 0.80 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.56 2xey h LYS 54 N 0.95 0.91 -0.53 1.90 3.64 -1.31 -1.90 116.57 120.22 2xey h LYS 54 Ca 0.23 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2xey h LYS 54 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2xey h LYS 54 CO -0.02 0.92 0.31 1.49 -2.27 0.00 0.00 179.45 179.87 2xey h GLU 55 N 0.84 0.73 -0.48 1.90 4.81 -1.18 -0.64 114.58 120.56 2xey h GLU 55 Ca 0.15 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 2xey h GLU 55 Cb 0.53 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2xey h GLU 55 CO 0.03 0.54 -0.18 0.82 -0.73 0.00 0.00 179.01 179.49 2xey h ILE 56 N 0.72 1.27 -0.80 2.32 2.04 -1.40 -1.95 117.51 119.71 2xey h ILE 56 Ca 0.19 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2xey h ILE 56 Cb 0.01 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2xey h ILE 56 CO -0.03 0.46 0.40 0.00 0.00 0.00 0.00 178.15 178.98 2xey h ILE 58 N 1.12 1.29 -0.46 0.00 2.04 -1.05 -3.22 117.51 117.24 2xey h ILE 58 Ca 0.28 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2xey h ILE 58 Cb 0.09 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2xey h ILE 58 CO -0.04 0.64 0.24 0.78 0.00 0.00 0.00 178.15 179.77 2xey h ASN 59 N 0.48 0.56 -0.61 1.72 2.35 -1.12 -1.88 115.58 117.07 2xey h ASN 59 Ca -0.06 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2xey h ASN 59 Cb 1.42 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 2xey h ASN 59 CO 0.16 0.46 0.41 0.11 -1.65 0.00 0.00 177.43 176.91 2xey h LYS 60 N 0.63 0.76 -0.55 0.81 1.57 -1.44 -1.98 116.57 116.37 2xey h LYS 60 Ca 0.16 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2xey h LYS 60 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2xey h LYS 60 CO -0.03 0.50 0.17 0.52 -0.57 0.00 0.00 179.45 180.04 2xey h MET 61 N 0.78 0.83 -5.68 3.15 2.86 -1.42 -3.46 114.93 111.99 2xey h MET 61 Ca 0.23 -0.15 -0.60 0.00 -2.06 0.00 0.00 59.70 57.13 2xey h MET 61 Cb -0.02 -0.13 -0.10 0.00 0.06 0.00 0.00 31.60 31.41 2xey h MET 61 CO -0.06 0.72 0.28 -0.51 1.06 0.00 0.00 176.91 178.40 2xey s LEU 62 N -9.39 4.10 -0.22 1.22 1.43 -0.75 -5.03 118.68 110.04 2xey s LEU 62 Ca -0.10 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 2xey s LEU 62 Cb 0.16 -3.01 0.08 0.00 0.03 0.00 0.00 46.19 43.44 2xey s LEU 62 CO 0.80 -0.40 0.09 0.21 0.23 0.00 0.00 176.35 177.28 2xey s ASN 63 N 1.33 2.99 0.05 2.29 2.47 -1.26 -4.72 114.94 118.08 2xey s ASN 63 Ca 0.31 -0.96 -0.22 0.00 0.42 0.00 0.00 52.86 52.41 2xey s ASN 63 Cb -0.16 -0.41 0.05 0.00 -1.45 0.00 0.00 41.25 39.28 2xey s ASN 63 CO 0.09 -0.37 0.51 -2.28 -3.72 0.00 0.00 177.10 171.32 2xey s HIS 64 N 2.01 -0.41 0.30 0.43 2.46 -1.26 -5.04 115.29 113.79 2xey s HIS 64 Ca 0.04 0.43 0.02 0.00 0.47 0.00 0.00 55.06 56.03 2xey s HIS 64 Cb -0.16 0.33 0.49 0.00 -0.13 0.00 0.00 32.58 33.11 2xey s HIS 64 CO -0.19 -0.64 1.81 1.05 -2.47 0.00 0.00 174.74 174.31 2xey h GLU 65 N 2.79 0.59 -0.60 2.88 9.09 -1.99 -3.07 114.58 124.27 2xey h GLU 65 Ca -0.31 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2xey h GLU 65 Cb 1.21 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 2xey h GLU 65 CO 0.41 0.65 0.00 0.09 0.05 0.00 0.00 179.01 180.21 2xey n ASN 66 N -4.23 3.43 -4.25 3.06 4.13 -1.26 -4.85 115.26 111.29 2xey n ASN 66 Ca 0.01 -2.14 -0.28 0.00 1.68 0.00 0.00 54.58 53.85 2xey n ASN 66 Cb 0.29 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 37.93 2xey n ASN 66 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2xey s VAL 67 N -1.44 1.76 0.30 2.41 1.01 -1.16 -1.24 120.40 122.05 2xey s VAL 67 Ca 0.40 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2xey s VAL 67 Cb 0.23 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 35.04 2xey s VAL 67 CO 0.24 0.50 1.55 -0.69 0.00 0.00 0.00 175.10 176.70 2xey s VAL 68 N -0.52 2.15 0.01 2.92 1.01 -0.89 -4.53 120.40 120.55 2xey s VAL 68 Ca 0.09 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2xey s VAL 68 Cb -0.09 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2xey s VAL 68 CO -0.01 0.02 0.85 -0.54 0.00 0.00 0.00 175.10 175.43 2xey s LYS 69 N -0.78 4.53 -0.23 2.72 1.02 -1.26 -4.87 119.74 120.87 2xey s LYS 69 Ca 0.61 1.20 -0.09 0.00 0.02 0.00 0.00 55.97 57.71 2xey s LYS 69 Cb -0.47 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2xey s LYS 69 CO 0.50 0.10 0.11 0.12 -0.92 0.00 0.00 175.35 175.26 2xey s PHE 70 N 0.53 3.21 -0.18 3.18 5.36 -1.26 0.66 117.98 129.48 2xey s PHE 70 Ca 0.44 -0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.24 2xey s PHE 70 Cb -0.20 -2.22 -0.09 0.00 -0.34 0.00 0.00 43.02 40.17 2xey s PHE 70 CO 0.24 -0.07 -0.08 0.66 -1.46 0.00 0.00 175.22 174.52 2xey n TYR 71 N 4.35 0.80 -3.80 10.12 4.01 0.66 -4.96 117.16 128.34 2xey n TYR 71 Ca -0.16 0.35 -0.02 0.00 -0.16 0.00 0.00 57.90 57.91 2xey n TYR 71 Cb 0.52 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 2xey n TYR 71 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2xey s GLY 72 N -4.61 -0.11 0.00 2.72 0.00 -1.19 -4.96 107.32 99.17 2xey s GLY 72 Ca -0.23 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.54 2xey s GLY 72 CO 0.38 1.53 -0.06 -2.38 0.00 0.00 0.00 173.10 172.57 2xey s HIS 73 N -2.56 0.57 -0.11 1.90 -3.43 -1.25 0.52 115.29 110.93 2xey s HIS 73 Ca 0.18 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.30 2xey s HIS 73 Cb -0.01 -0.36 0.00 0.00 -1.43 0.00 0.00 32.58 30.79 2xey s HIS 73 CO 0.02 -0.02 -0.22 1.03 -2.00 0.00 0.00 174.74 173.55 2xey s ARG 74 N -0.42 2.86 -0.41 -0.38 3.00 -1.03 -4.96 118.95 117.60 2xey s ARG 74 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 55.73 54.71 2xey s ARG 74 Cb -0.04 -2.22 0.02 0.00 0.00 0.00 0.00 34.95 32.71 2xey s ARG 74 CO -0.00 0.11 0.68 0.50 0.00 0.00 0.00 175.30 176.59 2xey s ARG 75 N 0.52 3.44 -0.12 3.54 3.52 -1.26 -2.07 118.95 126.52 2xey s ARG 75 Ca -0.15 -0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2xey s ARG 75 Cb -0.17 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.33 2xey s ARG 75 CO 0.05 -0.95 -0.20 -2.00 -0.81 0.00 0.00 175.30 171.40 2xey s GLU 76 N 2.91 2.68 6.22 5.12 2.12 0.07 -5.00 118.70 132.83 2xey s GLU 76 Ca 0.25 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2xey s GLU 76 Cb -0.14 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2xey s GLU 76 CO 0.19 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 2xey n GLY 77 N 4.02 3.36 0.44 -1.50 0.00 -1.26 0.11 105.19 110.36 2xey n GLY 77 Ca -0.20 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.86 2xey n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xey n ASN 78 N 3.99 1.77 -4.73 1.61 4.13 -1.26 -4.96 115.26 115.81 2xey n ASN 78 Ca 0.00 -1.36 -0.41 0.00 1.68 0.00 0.00 54.58 54.50 2xey n ASN 78 Cb 0.00 0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 38.55 2xey n ASN 78 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2xey s ILE 79 N -2.46 4.54 -0.15 2.41 1.01 0.29 -4.78 121.20 122.06 2xey s ILE 79 Ca 0.21 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.78 2xey s ILE 79 Cb 0.19 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2xey s ILE 79 CO 0.55 0.34 0.00 -1.10 0.00 0.00 0.00 174.94 174.73 2xey s GLN 80 N -0.07 3.61 -0.19 2.79 -1.52 -0.66 -0.76 119.66 122.87 2xey s GLN 80 Ca 0.45 -0.44 -0.03 0.00 -1.95 0.00 0.00 55.36 53.39 2xey s GLN 80 Cb -0.23 -2.98 -0.01 0.00 -0.22 0.00 0.00 33.01 29.57 2xey s GLN 80 CO 0.28 0.36 -0.06 0.71 -0.25 0.00 0.00 175.29 176.33 2xey s TYR 81 N 0.07 2.94 -0.17 0.91 2.02 -0.88 -2.44 117.35 119.81 2xey s TYR 81 Ca 0.02 -0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 2xey s TYR 81 Cb -0.13 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2xey s TYR 81 CO 0.02 -0.36 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.05 2xey s LEU 82 N 0.98 2.88 -0.31 -1.29 2.01 -1.12 -2.48 118.68 119.35 2xey s LEU 82 Ca -0.00 -0.31 -0.10 0.00 0.01 0.00 0.00 54.13 53.72 2xey s LEU 82 Cb -0.15 -1.69 -0.02 0.00 0.01 0.00 0.00 46.19 44.35 2xey s LEU 82 CO 0.00 0.10 0.17 -0.36 1.01 0.00 0.00 176.35 177.28 2xey s PHE 83 N 0.74 3.19 0.13 0.29 0.40 0.18 -1.56 117.98 121.35 2xey s PHE 83 Ca -0.04 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 2xey s PHE 83 Cb -0.15 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2xey s PHE 83 CO 0.02 -0.37 -0.12 -0.51 0.70 0.00 0.00 175.22 174.93 2xey s LEU 84 N 1.67 2.45 0.49 -0.37 1.43 0.63 0.24 118.68 125.21 2xey s LEU 84 Ca 0.06 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 2xey s LEU 84 Cb -0.17 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.53 2xey s LEU 84 CO 0.08 -0.22 1.37 -0.70 0.23 0.00 0.00 176.35 177.11 2xey s GLU 85 N -3.04 3.45 -0.19 1.70 2.12 0.21 -0.16 118.70 122.78 2xey s GLU 85 Ca 0.11 2.28 -0.11 0.00 0.36 0.00 0.00 54.97 57.62 2xey s GLU 85 Cb -0.02 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 2xey s GLU 85 CO 0.02 -0.96 0.16 -0.47 -0.54 0.00 0.00 175.26 173.47 2xey s TYR 86 N -1.27 3.42 -0.36 5.30 5.04 -1.26 -4.30 117.35 123.91 2xey s TYR 86 Ca 0.66 0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 55.59 2xey s TYR 86 Cb -0.41 -2.20 0.05 0.00 0.35 0.00 0.00 41.96 39.75 2xey s TYR 86 CO 0.51 0.27 0.16 0.00 -1.34 0.00 0.00 175.55 175.15 2xey h SER 88 N 8.28 0.00 -0.39 0.00 4.64 -1.82 -3.11 113.55 121.15 2xey h SER 88 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2xey h SER 88 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2xey h SER 88 CO 0.65 0.20 0.21 1.23 -0.87 0.00 0.00 176.83 178.25 2xey h GLY 89 N 1.18 0.61 0.00 -0.77 0.00 0.17 -3.47 103.07 100.79 2xey h GLY 89 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2xey h GLY 89 CO 0.03 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.43 2xey n GLY 90 N -1.31 -1.72 3.85 4.60 0.00 -0.97 -4.70 105.19 104.95 2xey n GLY 90 Ca 0.03 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2xey n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xey s GLU 91 N 0.00 3.19 0.49 1.61 -1.05 -1.26 -0.41 118.70 121.27 2xey s GLU 91 Ca 0.00 -0.54 0.33 0.00 -0.15 0.00 0.00 54.97 54.62 2xey s GLU 91 Cb 0.00 -2.91 1.73 0.00 -0.44 0.00 0.00 34.13 32.51 2xey s GLU 91 CO 0.00 0.60 2.01 1.25 0.95 0.00 0.00 175.26 180.07 2xey h LEU 92 N 3.28 0.00 -1.16 1.83 5.85 -1.27 -1.32 115.31 122.53 2xey h LEU 92 Ca -0.46 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2xey h LEU 92 Cb 1.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2xey h LEU 92 CO 0.71 0.00 0.32 0.15 -0.34 0.00 0.00 178.44 179.28 2xey h PHE 93 N 0.00 0.90 -0.00 1.25 3.04 -1.81 -2.17 116.94 118.14 2xey h PHE 93 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2xey h PHE 93 Cb 0.08 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.31 2xey h PHE 93 CO 0.00 0.65 -0.05 -0.25 -2.02 0.00 0.00 178.31 176.64 2xey n ASP 94 N -4.35 0.13 -0.76 0.41 8.00 -0.50 -3.23 116.55 116.26 2xey n ASP 94 Ca 0.06 -0.16 0.11 0.00 0.71 0.00 0.00 54.79 55.51 2xey n ASP 94 Cb 0.12 -0.24 0.32 0.00 -0.02 0.00 0.00 41.12 41.30 2xey n ASP 94 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2xey n ARG 95 N -1.25 2.00 -4.19 -1.24 5.12 -0.82 -4.83 116.66 111.46 2xey n ARG 95 Ca 0.13 -1.50 -0.34 0.00 -1.93 0.00 0.00 57.85 54.21 2xey n ARG 95 Cb 0.27 -1.44 -0.13 0.00 -1.16 0.00 0.00 32.46 30.00 2xey n ARG 95 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2xey s ILE 96 N -1.74 3.83 -0.08 0.55 1.01 -1.20 -4.67 121.20 118.91 2xey s ILE 96 Ca 0.34 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2xey s ILE 96 Cb 0.19 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2xey s ILE 96 CO 0.29 0.45 0.54 -0.70 0.00 0.00 0.00 174.94 175.52 2xey s GLU 97 N 0.82 4.33 0.17 2.79 2.56 -0.84 -4.89 118.70 123.64 2xey s GLU 97 Ca -0.00 0.60 -0.32 0.00 0.00 0.00 0.00 54.97 55.25 2xey s GLU 97 Cb -0.14 -3.41 -0.11 0.00 2.00 0.00 0.00 34.13 32.47 2xey s GLU 97 CO 0.02 0.21 1.69 -2.14 -0.56 0.00 0.00 175.26 174.48 2xey s PRO 98 N 0.39 4.16 0.00 4.30 0.02 -1.26 -0.25 135.00 142.35 2xey s PRO 98 Ca 0.29 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2xey s PRO 98 Cb -0.16 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2xey s PRO 98 CO 0.14 -0.72 0.00 -0.25 -0.33 0.00 0.00 177.00 175.83 2xey n ASP 99 N 4.40 0.00 0.00 2.53 8.00 -0.74 -4.73 116.55 126.02 2xey n ASP 99 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2xey n ASP 99 Cb 0.37 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2xey n ASP 99 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2xey n ILE 100 N -2.00 0.00 0.00 0.53 5.41 -0.57 -4.68 119.36 118.05 2xey n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2xey n ILE 100 Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 2xey n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2xey n GLY 101 N 2.82 2.36 3.44 7.39 0.00 0.65 -4.33 105.19 117.51 2xey n GLY 101 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2xey n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2xey s MET 102 N 0.00 1.32 0.40 1.61 0.23 0.13 -2.00 119.30 120.99 2xey s MET 102 Ca 0.00 -1.19 -0.27 0.00 -1.03 0.00 0.00 55.69 53.21 2xey s MET 102 Cb 0.00 0.42 -0.10 0.00 -1.53 0.00 0.00 34.83 33.62 2xey s MET 102 CO 0.00 -0.51 1.35 -2.30 -2.03 0.00 0.00 175.02 171.53 2xey n PRO 103 N -0.29 2.20 -0.06 3.16 -0.02 -1.26 -4.66 135.00 134.07 2xey n PRO 103 Ca -0.05 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 2xey n PRO 103 Cb 0.63 -2.48 0.40 0.00 -0.02 0.00 0.00 33.50 32.02 2xey n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2xey h GLU 104 N 2.42 0.61 -0.70 -0.52 4.81 -1.98 -0.73 114.58 118.49 2xey h GLU 104 Ca -0.49 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 2xey h GLU 104 Cb 1.28 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2xey h GLU 104 CO 0.62 0.40 0.16 -1.35 -0.73 0.00 0.00 179.01 178.11 2xey h PRO 105 N 0.63 1.12 -0.58 0.92 0.11 -1.89 -1.83 132.00 130.48 2xey h PRO 105 Ca 0.20 -0.27 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 2xey h PRO 105 Cb 0.01 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2xey h PRO 105 CO -0.05 0.99 0.11 -0.44 -0.21 0.00 0.00 178.00 178.40 2xey h ASP 106 N 1.06 0.91 -0.64 -2.05 3.32 -1.51 -2.92 116.42 114.59 2xey h ASP 106 Ca 0.22 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2xey h ASP 106 Cb 0.38 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2xey h ASP 106 CO 0.00 0.93 0.16 0.00 -1.72 0.00 0.00 179.24 178.62 2xey h ALA 107 N 1.01 0.84 -0.59 3.45 0.00 -1.26 -2.39 119.26 120.31 2xey h ALA 107 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2xey h ALA 107 Cb 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2xey h ALA 107 CO 0.01 0.55 0.25 0.37 0.00 0.00 0.00 179.25 180.42 2xey h GLN 108 N 0.94 0.88 -0.54 0.00 4.15 -1.29 -0.94 115.11 118.32 2xey h GLN 108 Ca 0.20 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2xey h GLN 108 Cb 0.35 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2xey h GLN 108 CO 0.00 0.75 0.12 -0.09 -1.93 0.00 0.00 178.83 177.68 2xey h ARG 109 N 0.82 0.86 -0.79 1.69 2.43 -1.44 0.13 114.38 118.09 2xey h ARG 109 Ca 0.20 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2xey h ARG 109 Cb 0.19 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2xey h ARG 109 CO -0.02 0.82 0.30 0.74 -1.51 0.00 0.00 179.97 180.30 2xey h PHE 110 N 0.76 1.22 -0.71 2.20 0.04 -1.25 -2.09 116.94 117.10 2xey h PHE 110 Ca 0.17 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2xey h PHE 110 Cb 0.35 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2xey h PHE 110 CO 0.02 0.93 0.18 0.35 -0.60 0.00 0.00 178.31 179.19 2xey h PHE 111 N 1.16 1.19 -0.53 -0.55 3.57 -0.89 0.31 116.94 121.20 2xey h PHE 111 Ca 0.26 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2xey h PHE 111 Cb 0.24 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2xey h PHE 111 CO 0.02 0.96 0.23 0.45 -2.23 0.00 0.00 178.31 177.75 2xey h HIS 112 N 1.07 0.79 -0.39 0.41 3.86 -0.49 0.33 115.15 120.73 2xey h HIS 112 Ca 0.22 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2xey h HIS 112 Cb 0.37 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2xey h HIS 112 CO 0.03 0.63 -0.13 1.96 0.86 0.00 0.00 177.93 181.28 2xey h GLN 113 N 0.71 0.71 -0.58 2.45 4.20 -1.22 -1.71 115.11 119.68 2xey h GLN 113 Ca 0.18 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2xey h GLN 113 Cb 0.16 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2xey h GLN 113 CO -0.02 0.81 0.09 1.25 -0.67 0.00 0.00 178.83 180.29 2xey h LEU 114 N 0.64 0.92 -0.65 1.46 5.85 -0.09 -1.99 115.31 121.45 2xey h LEU 114 Ca 0.11 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 2xey h LEU 114 Cb 0.59 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2xey h LEU 114 CO 0.04 0.95 -0.21 0.24 -0.34 0.00 0.00 178.44 179.12 2xey h MET 115 N 0.86 0.84 -0.36 1.25 2.86 -0.78 -1.96 114.93 117.63 2xey h MET 115 Ca 0.18 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2xey h MET 115 Cb 0.42 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2xey h MET 115 CO 0.01 0.97 0.14 0.00 1.06 0.00 0.00 176.91 179.09 2xey h ALA 116 N 1.03 0.47 -0.54 6.32 0.00 -1.21 0.43 119.26 125.77 2xey h ALA 116 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2xey h ALA 116 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2xey h ALA 116 CO 0.06 0.08 0.12 0.78 0.00 0.00 0.00 179.25 180.29 2xey h GLY 117 N 0.43 0.93 1.07 0.00 0.00 -1.30 -2.53 103.07 101.68 2xey h GLY 117 Ca 0.12 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2xey h GLY 117 CO -0.01 0.55 0.03 -2.08 0.00 0.00 0.00 176.54 175.03 2xey h VAL 118 N 0.76 1.27 -0.71 4.60 2.07 -1.28 -2.79 116.25 120.17 2xey h VAL 118 Ca 0.17 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2xey h VAL 118 Cb 0.35 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2xey h VAL 118 CO 0.00 0.41 0.30 0.58 0.02 0.00 0.00 177.57 178.88 2xey h VAL 119 N 0.97 1.24 -0.66 2.57 2.07 -0.82 -2.67 116.25 118.95 2xey h VAL 119 Ca 0.18 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2xey h VAL 119 Cb 0.53 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2xey h VAL 119 CO 0.03 0.30 0.31 0.22 0.02 0.00 0.00 177.57 178.44 2xey h TYR 120 N 1.00 0.97 -0.69 1.57 3.20 -1.35 -2.49 116.97 119.19 2xey h TYR 120 Ca 0.24 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2xey h TYR 120 Cb 0.18 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2xey h TYR 120 CO 0.01 0.73 0.28 -0.07 -1.64 0.00 0.00 178.16 177.47 2xey h LEU 121 N 0.92 0.95 -0.64 2.82 3.38 -1.34 -1.89 115.31 119.51 2xey h LEU 121 Ca 0.23 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2xey h LEU 121 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2xey h LEU 121 CO -0.03 0.86 0.15 0.45 0.09 0.00 0.00 178.44 179.96 2xey h HIS 122 N 0.98 1.08 -0.67 1.13 3.86 -1.27 0.87 115.15 121.12 2xey h HIS 122 Ca 0.23 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2xey h HIS 122 Cb 0.20 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 2xey h HIS 122 CO 0.01 0.90 0.18 0.78 0.86 0.00 0.00 177.93 180.66 2xey h GLY 123 N 0.95 1.14 2.00 2.45 0.00 -1.37 0.34 103.07 108.57 2xey h GLY 123 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2xey h GLY 123 CO 0.00 0.64 0.00 4.51 0.00 0.00 0.00 176.54 181.70 2xey n ILE 124 N -4.25 0.85 -0.94 2.60 3.06 -0.72 -4.90 119.36 115.06 2xey n ILE 124 Ca 0.05 0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 2xey n ILE 124 Cb 0.24 -1.06 0.00 0.00 0.54 0.00 0.00 39.64 39.36 2xey n ILE 124 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2xey n GLY 125 N 0.11 0.44 3.40 4.50 0.00 0.78 -4.93 105.19 109.49 2xey n GLY 125 Ca 0.03 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2xey n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xey s ILE 126 N -2.00 3.02 -0.13 -0.61 1.09 0.27 -0.73 121.20 122.11 2xey s ILE 126 Ca 0.00 -0.70 -0.02 0.00 -1.10 0.00 0.00 60.65 58.84 2xey s ILE 126 Cb 0.00 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 39.14 2xey s ILE 126 CO 0.00 0.55 -0.06 0.28 -0.10 0.00 0.00 174.94 175.61 2xey s THR 127 N -0.01 3.71 0.08 2.92 -1.32 -0.73 -3.51 115.64 116.78 2xey s THR 127 Ca -0.04 -0.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.82 2xey s THR 127 Cb -0.14 -2.59 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 2xey s THR 127 CO 0.04 0.53 1.51 -0.74 -2.21 0.00 0.00 174.62 173.74 2xey h HIS 128 N 6.28 0.47 0.00 9.09 2.76 -1.92 -2.62 115.15 129.22 2xey h HIS 128 Ca -0.35 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2xey h HIS 128 Cb 1.19 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2xey h HIS 128 CO 0.54 0.62 0.00 0.54 -1.30 0.00 0.00 177.93 178.32 2xey n ARG 129 N -4.63 0.00 -3.02 5.26 1.74 -1.26 -3.09 116.66 111.66 2xey n ARG 129 Ca -0.04 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 2xey n ARG 129 Cb 0.25 -1.88 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 2xey n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2xey n ASP 130 N 0.00 -0.46 -4.65 0.55 4.64 -1.26 -4.03 116.55 111.35 2xey n ASP 130 Ca 0.00 -3.20 -0.42 0.00 -1.38 0.00 0.00 54.79 49.80 2xey n ASP 130 Cb 0.00 0.31 -0.04 0.00 -1.04 0.00 0.00 41.12 40.34 2xey n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2xey s ILE 131 N -1.25 4.84 0.19 5.18 1.01 -1.26 -4.84 121.20 125.06 2xey s ILE 131 Ca 0.34 1.59 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 2xey s ILE 131 Cb 0.30 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.68 2xey s ILE 131 CO -0.09 -0.06 0.54 -1.59 0.00 0.00 0.00 174.94 173.74 2xey s LYS 132 N 2.72 1.36 0.34 2.79 -2.85 -1.26 -4.79 119.74 118.05 2xey s LYS 132 Ca 0.36 -0.79 0.04 0.00 -1.00 0.00 0.00 55.97 54.58 2xey s LYS 132 Cb -0.15 0.53 0.67 0.00 -2.06 0.00 0.00 37.83 36.82 2xey s LYS 132 CO 0.08 -0.58 1.93 -1.35 0.10 0.00 0.00 175.35 175.53 2xey h PRO 133 N 2.17 0.82 -0.66 1.78 0.11 -1.94 0.46 132.00 134.75 2xey h PRO 133 Ca -0.29 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 65.88 2xey h PRO 133 Cb 1.27 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2xey h PRO 133 CO 0.37 0.54 0.44 0.93 -0.21 0.00 0.00 178.00 180.08 2xey h GLU 134 N 0.85 0.42 -0.29 1.05 3.07 -1.94 -1.37 114.58 116.37 2xey h GLU 134 Ca 0.35 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2xey h GLU 134 Cb 0.28 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2xey h GLU 134 CO -0.13 0.28 0.00 0.09 -1.40 0.00 0.00 179.01 177.85 2xey n ASN 135 N -4.47 2.62 -4.27 1.42 3.02 0.13 -4.79 115.26 108.91 2xey n ASN 135 Ca 0.11 -1.87 -0.35 0.00 -0.03 0.00 0.00 54.58 52.44 2xey n ASN 135 Cb 0.41 -0.19 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 2xey n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2xey s LEU 136 N -1.50 2.88 0.12 3.41 1.43 -0.52 -0.86 118.68 123.64 2xey s LEU 136 Ca 0.35 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2xey s LEU 136 Cb 0.20 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2xey s LEU 136 CO 0.29 -0.04 0.03 -0.76 0.23 0.00 0.00 176.35 176.10 2xey s LEU 137 N 1.44 3.53 -0.12 1.79 1.43 0.54 -1.54 118.68 125.75 2xey s LEU 137 Ca 0.05 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2xey s LEU 137 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2xey s LEU 137 CO -0.04 0.14 -0.17 -0.76 0.23 0.00 0.00 176.35 175.74 2xey s LEU 138 N -2.59 2.46 0.00 1.79 1.43 0.46 0.80 118.68 123.04 2xey s LEU 138 Ca 0.27 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2xey s LEU 138 Cb -0.11 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2xey s LEU 138 CO 0.20 0.15 0.38 -0.90 0.23 0.00 0.00 176.35 176.40 2xey n ASP 139 N 3.61 0.17 -0.04 2.29 3.85 -0.89 0.17 116.55 125.71 2xey n ASP 139 Ca -0.19 -1.22 0.03 0.00 -0.71 0.00 0.00 54.79 52.71 2xey n ASP 139 Cb 0.53 -0.28 0.39 0.00 -1.35 0.00 0.00 41.12 40.41 2xey n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2xey h GLU 140 N 0.00 0.62 -0.01 0.11 9.09 -1.90 -0.38 114.58 122.12 2xey h GLU 140 Ca -0.12 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.25 2xey h GLU 140 Cb 0.37 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2xey h GLU 140 CO 0.10 0.41 -0.02 0.54 0.05 0.00 0.00 179.01 180.09 2xey n ARG 141 N -4.47 1.17 -1.03 1.06 1.74 -1.26 -4.89 116.66 108.98 2xey n ARG 141 Ca 0.04 -0.38 -0.01 0.00 -0.77 0.00 0.00 57.85 56.73 2xey n ARG 141 Cb 0.06 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.00 2xey n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2xey n ASP 142 N -0.58 -3.18 -4.71 0.55 10.43 -0.15 -5.02 116.55 113.88 2xey n ASP 142 Ca 0.20 0.03 -0.42 0.00 2.57 0.00 0.00 54.79 57.17 2xey n ASP 142 Cb 0.23 -0.79 -0.03 0.00 1.84 0.00 0.00 41.12 42.37 2xey n ASP 142 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2xey s ASN 143 N -2.79 7.35 0.29 -2.24 0.01 -1.26 -4.72 114.94 111.59 2xey s ASN 143 Ca 0.00 1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 53.53 2xey s ASN 143 Cb 0.00 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 2xey s ASN 143 CO 0.00 -0.28 1.37 -0.22 -1.51 0.00 0.00 177.10 176.46 2xey s LEU 144 N 1.05 4.40 0.01 0.60 1.98 -1.26 -2.08 118.68 123.38 2xey s LEU 144 Ca 0.52 2.68 0.03 0.00 -2.89 0.00 0.00 54.13 54.47 2xey s LEU 144 Cb -0.21 -3.64 -0.01 0.00 0.66 0.00 0.00 46.19 42.99 2xey s LEU 144 CO 0.28 -0.61 -0.08 -0.54 -1.89 0.00 0.00 176.35 173.50 2xey s LYS 145 N -1.17 0.63 -0.20 1.98 -0.14 0.24 -4.45 119.74 116.62 2xey s LYS 145 Ca 0.53 -0.43 -0.19 0.00 -1.36 0.00 0.00 55.97 54.52 2xey s LYS 145 Cb -0.41 -0.58 -0.03 0.00 -1.68 0.00 0.00 37.83 35.14 2xey s LYS 145 CO 0.49 0.15 0.53 0.42 -0.76 0.00 0.00 175.35 176.18 2xey s ILE 146 N -0.51 5.09 -0.06 2.17 1.01 -0.37 -0.34 121.20 128.19 2xey s ILE 146 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2xey s ILE 146 Cb -0.05 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2xey s ILE 146 CO 0.00 0.16 -0.24 -0.55 0.00 0.00 0.00 174.94 174.31 2xey s SER 147 N 1.18 3.00 0.00 3.58 0.15 -0.04 -2.10 113.70 119.48 2xey s SER 147 Ca 0.25 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2xey s SER 147 Cb -0.15 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2xey s SER 147 CO 0.10 0.23 0.00 -0.67 1.20 0.00 0.00 173.24 174.10 2xey n ASP 148 N 3.01 -0.71 -1.13 5.45 -0.08 -1.26 -4.76 116.55 117.07 2xey n ASP 148 Ca -0.18 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.19 2xey n ASP 148 Cb 0.52 -0.35 0.29 0.00 2.34 0.00 0.00 41.12 43.92 2xey n ASP 148 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2xey n PHE 149 N 0.97 1.20 -0.22 -0.67 3.01 -1.26 -4.57 117.46 115.92 2xey n PHE 149 Ca 0.00 -0.83 0.03 0.00 1.01 0.00 0.00 57.45 57.66 2xey n PHE 149 Cb 0.00 -0.35 0.28 0.00 -0.01 0.00 0.00 39.48 39.40 2xey n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2xey h GLY 150 N 2.35 1.08 -0.84 1.37 0.00 -1.92 -2.29 103.07 102.83 2xey h GLY 150 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2xey h GLY 150 CO 0.28 0.32 -0.28 1.04 0.00 0.00 0.00 176.54 177.89 2xey n LEU 151 N -4.45 1.94 -4.77 3.11 4.77 -1.26 -4.89 117.00 111.44 2xey n LEU 151 Ca 0.10 -0.67 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 2xey n LEU 151 Cb 0.13 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2xey n LEU 151 CO 0.35 0.35 0.74 0.00 -1.33 0.00 0.00 177.39 177.50 2xey s ALA 152 N -2.34 2.42 0.24 -1.18 0.00 -0.86 -4.73 121.76 115.31 2xey s ALA 152 Ca 0.24 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2xey s ALA 152 Cb 0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2xey s ALA 152 CO 0.48 -1.36 0.42 -0.08 0.00 0.00 0.00 175.76 175.22 2xey s THR 153 N -2.33 0.00 -0.22 0.00 -1.32 -0.99 -4.97 115.64 105.82 2xey s THR 153 Ca 0.67 -1.48 -0.12 0.00 -1.21 0.00 0.00 61.69 59.54 2xey s THR 153 Cb -0.21 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2xey s THR 153 CO 0.42 -0.02 0.25 0.54 -2.21 0.00 0.00 174.62 173.61 2xey s VAL 154 N -4.03 5.30 -0.17 5.08 0.11 -1.26 -1.78 120.40 123.64 2xey s VAL 154 Ca 0.24 0.38 0.08 0.00 -2.93 0.00 0.00 61.98 59.76 2xey s VAL 154 Cb 0.01 -3.58 -0.12 0.00 -1.53 0.00 0.00 36.38 31.16 2xey s VAL 154 CO 0.09 0.32 0.26 2.22 -3.33 0.00 0.00 175.10 174.65 2xey n PHE 155 N 4.29 0.00 -4.20 1.54 -1.74 0.09 -4.91 117.46 112.54 2xey n PHE 155 Ca -0.13 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.52 2xey n PHE 155 Cb 0.52 -0.11 -0.17 0.00 1.52 0.00 0.00 39.48 41.24 2xey n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2xey s ARG 156 N -2.25 1.33 -0.05 3.97 3.52 -1.15 -1.59 118.95 122.72 2xey s ARG 156 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2xey s ARG 156 Cb 0.06 -1.28 0.02 0.00 -1.56 0.00 0.00 34.95 32.19 2xey s ARG 156 CO 0.35 -0.12 -0.04 -0.47 -0.81 0.00 0.00 175.30 174.21 2xey s TYR 157 N 1.17 0.78 -1.68 5.12 5.04 -1.04 -4.68 117.35 122.06 2xey s TYR 157 Ca -0.06 -0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2xey s TYR 157 Cb -0.14 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.44 2xey s TYR 157 CO -0.02 -0.24 0.06 0.09 -1.34 0.00 0.00 175.55 174.10 2xey n ASN 158 N 4.35 -5.70 -0.36 4.32 3.02 -1.26 -2.11 115.26 117.52 2xey n ASN 158 Ca -0.20 -0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.28 2xey n ASN 158 Cb 0.51 -4.74 -0.02 0.00 -0.61 0.00 0.00 39.78 34.92 2xey n ASN 158 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2xey n ASN 159 N -2.04 -4.00 -4.40 6.41 5.15 -1.26 -5.02 115.26 110.10 2xey n ASN 159 Ca -0.22 0.12 -0.33 0.00 -0.60 0.00 0.00 54.58 53.54 2xey n ASN 159 Cb 0.67 -1.91 -0.14 0.00 -0.53 0.00 0.00 39.78 37.88 2xey n ASN 159 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2xey s ARG 160 N -1.89 3.47 0.31 1.20 1.81 -0.90 -5.11 118.95 117.85 2xey s ARG 160 Ca 0.00 -0.63 -0.13 0.00 -1.72 0.00 0.00 55.73 53.25 2xey s ARG 160 Cb 0.00 -2.75 -0.08 0.00 -0.45 0.00 0.00 34.95 31.67 2xey s ARG 160 CO 0.00 0.19 0.70 -2.00 -0.68 0.00 0.00 175.30 173.51 2xey s GLU 161 N 0.45 3.93 -0.09 3.54 2.12 -1.26 -2.51 118.70 124.88 2xey s GLU 161 Ca -0.07 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.84 2xey s GLU 161 Cb -0.15 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.78 2xey s GLU 161 CO 0.04 0.16 -0.16 -0.98 -0.54 0.00 0.00 175.26 173.78 2xey s ARG 162 N -3.07 2.20 0.54 4.30 1.70 -0.62 -5.01 118.95 118.99 2xey s ARG 162 Ca 0.52 -0.58 -0.20 0.00 -0.47 0.00 0.00 55.73 55.00 2xey s ARG 162 Cb -0.10 -1.77 -0.05 0.00 -0.57 0.00 0.00 34.95 32.45 2xey s ARG 162 CO 0.20 0.05 1.17 -0.51 -1.08 0.00 0.00 175.30 175.13 2xey s LEU 163 N 0.65 3.78 -0.11 -1.89 2.01 -1.26 -4.76 118.68 117.10 2xey s LEU 163 Ca -0.14 2.28 -0.06 0.00 0.01 0.00 0.00 54.13 56.23 2xey s LEU 163 Cb -0.16 -4.51 -0.04 0.00 0.01 0.00 0.00 46.19 41.49 2xey s LEU 163 CO 0.04 -1.28 0.10 -0.76 1.01 0.00 0.00 176.35 175.46 2xey s LEU 164 N -3.72 4.18 0.00 1.79 1.43 -0.65 -4.90 118.68 116.81 2xey s LEU 164 Ca 0.72 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2xey s LEU 164 Cb -0.27 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2xey s LEU 164 CO 0.31 0.40 0.00 -0.46 0.23 0.00 0.00 176.35 176.82 2xey n ASN 165 N 2.06 4.83 -4.78 2.29 0.23 -1.26 -1.51 115.26 117.12 2xey n ASN 165 Ca -0.20 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.49 2xey n ASN 165 Cb 0.55 0.96 -0.05 0.00 -2.08 0.00 0.00 39.78 39.16 2xey n ASN 165 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2xey s LYS 166 N -1.93 4.23 -0.22 -3.83 -2.85 -1.26 -4.87 119.74 109.00 2xey s LYS 166 Ca 0.00 1.45 -0.10 0.00 -1.00 0.00 0.00 55.97 56.32 2xey s LYS 166 Cb 0.00 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.18 2xey s LYS 166 CO 0.00 -0.07 0.15 -1.64 0.10 0.00 0.00 175.35 173.89 2xey s MET 167 N -2.50 4.13 0.14 1.78 -1.94 -1.26 -5.07 119.30 114.58 2xey s MET 167 Ca 0.57 -0.23 -0.20 0.00 -1.71 0.00 0.00 55.69 54.12 2xey s MET 167 Cb -0.20 -3.49 0.05 0.00 2.01 0.00 0.00 34.83 33.20 2xey s MET 167 CO 0.26 0.16 0.50 0.00 -0.01 0.00 0.00 175.02 175.93 2xey n GLY 169 N -0.30 0.75 3.28 0.00 0.00 -1.26 -4.87 105.19 102.79 2xey n GLY 169 Ca -0.17 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 2xey n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xey s THR 170 N -1.78 1.98 0.21 2.61 2.01 -1.26 -5.05 115.64 114.37 2xey s THR 170 Ca 0.00 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 2xey s THR 170 Cb 0.00 -1.66 0.17 0.00 0.01 0.00 0.00 72.50 71.02 2xey s THR 170 CO 0.00 0.56 1.88 -0.07 -0.69 0.00 0.00 174.62 176.30 2xey h LEU 171 N 5.71 0.90 -0.45 4.42 3.38 -1.96 -1.44 115.31 125.87 2xey h LEU 171 Ca -0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2xey h LEU 171 Cb 1.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2xey h LEU 171 CO 0.47 0.66 0.15 -0.65 0.09 0.00 0.00 178.44 179.16 2xey h PRO 172 N 1.06 0.70 0.00 1.13 0.11 -1.73 -3.08 132.00 130.19 2xey h PRO 172 Ca 0.29 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 2xey h PRO 172 Cb -0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 2xey h PRO 172 CO -0.06 0.66 -0.35 1.88 -0.21 0.00 0.00 178.00 179.92 2xey h TYR 173 N 0.59 0.00 -4.02 0.65 0.05 -1.83 -3.45 116.97 108.96 2xey h TYR 173 Ca 0.15 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.40 2xey h TYR 173 Cb 0.25 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.09 2xey h TYR 173 CO 0.01 0.35 0.55 0.54 -1.05 0.00 0.00 178.16 178.56 2xey s VAL 174 N -4.04 2.60 0.47 -2.88 0.11 -0.56 -3.74 120.40 112.37 2xey s VAL 174 Ca -0.02 0.46 -0.21 0.00 -2.93 0.00 0.00 61.98 59.27 2xey s VAL 174 Cb 0.13 -3.24 -0.08 0.00 -1.53 0.00 0.00 36.38 31.67 2xey s VAL 174 CO 0.70 -0.00 1.07 0.00 -3.33 0.00 0.00 175.10 173.54 2xey s ALA 175 N -1.41 2.91 0.36 1.54 0.00 -1.26 -4.64 121.76 119.25 2xey s ALA 175 Ca 0.67 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2xey s ALA 175 Cb -0.35 -3.29 0.68 0.00 0.00 0.00 0.00 23.12 20.17 2xey s ALA 175 CO 0.42 -0.39 1.97 -1.00 0.00 0.00 0.00 175.76 176.75 2xey h PRO 176 N 1.78 0.63 -0.44 0.00 0.14 -1.88 -2.90 132.00 129.32 2xey h PRO 176 Ca -0.49 -0.08 -0.05 0.00 0.14 0.00 0.00 66.00 65.52 2xey h PRO 176 Cb 1.23 -0.12 -0.02 0.00 0.14 0.00 0.00 31.00 32.23 2xey h PRO 176 CO 0.60 0.50 0.05 1.05 0.14 0.00 0.00 178.00 180.34 2xey h GLU 177 N 0.63 0.69 -0.76 0.86 9.09 -1.93 -2.78 114.58 120.37 2xey h GLU 177 Ca 0.16 -0.15 -0.02 0.00 0.05 0.00 0.00 59.36 59.40 2xey h GLU 177 Cb 0.09 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 2xey h GLU 177 CO -0.02 0.67 0.41 1.25 0.05 0.00 0.00 179.01 181.37 2xey h LEU 178 N 0.66 0.96 -0.56 3.06 6.46 -1.81 -0.22 115.31 123.85 2xey h LEU 178 Ca 0.14 -0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 2xey h LEU 178 Cb 0.34 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2xey h LEU 178 CO 0.01 0.78 -0.23 -0.07 -0.62 0.00 0.00 178.44 178.30 2xey h LEU 179 N 1.07 0.93 -2.16 2.25 3.38 -1.59 -3.36 115.31 115.83 2xey h LEU 179 Ca 0.27 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2xey h LEU 179 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2xey h LEU 179 CO -0.04 1.12 0.00 2.29 0.09 0.00 0.00 178.44 181.90 2xey n LYS 180 N -4.10 1.91 -4.49 1.13 2.85 -1.05 -5.00 118.16 109.41 2xey n LYS 180 Ca -0.00 -1.81 -0.21 0.00 -1.05 0.00 0.00 58.31 55.24 2xey n LYS 180 Cb 0.46 -1.33 -0.14 0.00 -0.65 0.00 0.00 35.03 33.36 2xey n LYS 180 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2xey s ARG 181 N -1.16 1.03 0.18 -1.58 1.81 -0.12 -5.03 118.95 114.08 2xey s ARG 181 Ca 0.25 -0.64 -0.09 0.00 -1.72 0.00 0.00 55.73 53.53 2xey s ARG 181 Cb 0.15 -1.02 0.08 0.00 -0.45 0.00 0.00 34.95 33.70 2xey s ARG 181 CO 0.21 0.27 1.63 -0.09 -0.68 0.00 0.00 175.30 176.63 2xey h ARG 182 N 5.33 1.03 -4.86 3.54 2.43 -1.90 -3.45 114.38 116.51 2xey h ARG 182 Ca -0.36 -0.36 -0.45 0.00 -0.81 0.00 0.00 59.98 58.00 2xey h ARG 182 Cb 1.17 -0.08 -0.30 0.00 -0.42 0.00 0.00 29.97 30.34 2xey h ARG 182 CO 0.46 1.05 -0.80 -1.21 -1.51 0.00 0.00 179.97 177.96 2xey s GLU 183 N -4.91 1.09 0.03 0.20 2.02 -1.26 -4.27 118.70 111.60 2xey s GLU 183 Ca -0.11 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 2xey s GLU 183 Cb 0.13 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 2xey s GLU 183 CO 0.86 0.18 0.08 -0.59 0.02 0.00 0.00 175.26 175.81 2xey s PHE 184 N 0.01 0.21 0.33 1.61 -0.12 -0.57 -4.95 117.98 114.50 2xey s PHE 184 Ca -0.01 -0.50 -0.28 0.00 -0.05 0.00 0.00 56.93 56.09 2xey s PHE 184 Cb -0.08 -0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 42.06 2xey s PHE 184 CO 0.00 -0.33 1.20 -1.01 -0.05 0.00 0.00 175.22 175.03 2xey s HIS 185 N -2.40 3.25 0.14 3.49 3.76 -1.26 -1.63 115.29 120.63 2xey s HIS 185 Ca -0.07 1.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.27 2xey s HIS 185 Cb -0.02 -3.47 -0.01 0.00 1.11 0.00 0.00 32.58 30.19 2xey s HIS 185 CO -0.04 -1.25 1.56 0.00 -0.85 0.00 0.00 174.74 174.16 2xey h ALA 186 N 3.37 0.60 -0.43 -1.40 0.00 -1.95 -3.34 119.26 116.11 2xey h ALA 186 Ca -0.48 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2xey h ALA 186 Cb 1.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2xey h ALA 186 CO 0.65 0.45 0.10 0.93 0.00 0.00 0.00 179.25 181.39 2xey h GLU 187 N 0.65 0.70 -0.22 0.00 5.08 -1.99 -3.11 114.58 115.68 2xey h GLU 187 Ca 0.12 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2xey h GLU 187 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2xey h GLU 187 CO 0.04 0.71 -0.07 -1.35 -1.00 0.00 0.00 179.01 177.33 2xey h PRO 188 N 0.57 0.35 -0.79 2.33 0.11 -1.91 -2.20 132.00 130.45 2xey h PRO 188 Ca 0.14 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 2xey h PRO 188 Cb 0.32 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 2xey h PRO 188 CO 0.00 0.44 0.31 0.28 -0.21 0.00 0.00 178.00 178.82 2xey h VAL 189 N 0.33 1.26 -0.41 3.15 2.07 -1.66 -2.74 116.25 118.25 2xey h VAL 189 Ca 0.07 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2xey h VAL 189 Cb 0.34 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2xey h VAL 189 CO 0.02 0.34 -0.12 0.44 0.02 0.00 0.00 177.57 178.26 2xey h ASP 190 N 1.15 0.73 -0.62 0.57 3.32 -1.36 -3.01 116.42 117.20 2xey h ASP 190 Ca 0.26 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2xey h ASP 190 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2xey h ASP 190 CO -0.02 0.88 0.05 0.58 -1.72 0.00 0.00 179.24 179.00 2xey h VAL 191 N 0.67 1.26 -0.60 -1.35 2.07 -1.35 -2.38 116.25 114.57 2xey h VAL 191 Ca 0.11 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2xey h VAL 191 Cb 0.59 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2xey h VAL 191 CO 0.04 0.40 0.28 -0.25 0.02 0.00 0.00 177.57 178.07 2xey h TRP 192 N 0.98 0.87 -0.76 1.57 2.91 -1.46 -1.18 115.95 118.88 2xey h TRP 192 Ca 0.18 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 2xey h TRP 192 Cb 0.51 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.85 2xey h TRP 192 CO 0.04 0.67 0.35 0.66 -1.03 0.00 0.00 178.44 179.12 2xey h SER 193 N 0.82 1.01 -0.75 2.65 4.64 -1.45 -1.87 113.55 118.60 2xey h SER 193 Ca 0.21 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2xey h SER 193 Cb 0.13 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 2xey h SER 193 CO -0.02 0.86 0.26 0.00 -0.87 0.00 0.00 176.83 177.06 2xey h GLY 195 N 1.10 1.10 1.12 0.00 0.00 -0.68 -1.14 103.07 104.57 2xey h GLY 195 Ca 0.24 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2xey h GLY 195 CO -0.01 0.60 0.27 -2.22 0.00 0.00 0.00 176.54 175.18 2xey h ILE 196 N 0.96 1.25 -0.65 2.60 2.04 -1.20 -0.06 117.51 122.45 2xey h ILE 196 Ca 0.22 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2xey h ILE 196 Cb 0.27 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2xey h ILE 196 CO -0.01 0.33 0.20 0.58 0.00 0.00 0.00 178.15 179.25 2xey h VAL 197 N 1.08 1.24 -0.72 1.67 2.07 -0.94 -1.97 116.25 118.69 2xey h VAL 197 Ca 0.25 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2xey h VAL 197 Cb 0.24 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2xey h VAL 197 CO -0.02 0.32 0.27 0.25 0.02 0.00 0.00 177.57 178.42 2xey h LEU 198 N 0.96 0.99 -0.61 2.57 5.85 -0.30 -2.16 115.31 122.61 2xey h LEU 198 Ca 0.21 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2xey h LEU 198 Cb 0.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2xey h LEU 198 CO -0.01 0.89 0.27 0.74 -0.34 0.00 0.00 178.44 179.99 2xey h THR 199 N 1.04 1.22 -0.65 1.05 2.02 -0.39 -2.54 112.91 114.66 2xey h THR 199 Ca 0.24 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 2xey h THR 199 Cb 0.22 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2xey h THR 199 CO -0.02 0.26 0.08 0.00 0.37 0.00 0.00 175.52 176.22 2xey h ALA 200 N 1.11 0.87 -0.80 6.16 0.00 -1.13 0.16 119.26 125.63 2xey h ALA 200 Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2xey h ALA 200 Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2xey h ALA 200 CO -0.02 0.66 0.36 0.52 0.00 0.00 0.00 179.25 180.77 2xey h MET 201 N 1.02 1.16 0.00 0.00 2.07 -1.29 0.37 114.93 118.26 2xey h MET 201 Ca 0.20 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2xey h MET 201 Cb 0.47 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 2xey h MET 201 CO 0.02 0.91 -0.87 1.28 1.07 0.00 0.00 176.91 179.32 2xey n LEU 202 N -4.30 0.63 0.00 1.22 4.77 -0.97 0.17 117.00 118.52 2xey n LEU 202 Ca 0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2xey n LEU 202 Cb 0.16 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2xey n LEU 202 CO 0.40 0.04 -0.45 0.00 -1.33 0.00 0.00 177.39 176.04 2xey n ALA 203 N -1.78 1.84 -1.00 -1.18 0.00 0.54 -4.52 120.51 114.42 2xey n ALA 203 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2xey n ALA 203 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2xey n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xey n GLY 204 N 2.46 0.82 3.11 0.00 0.00 0.13 -2.84 105.19 108.87 2xey n GLY 204 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2xey n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xey s GLU 205 N -0.01 0.68 -0.15 1.61 -1.05 -1.26 -1.78 118.70 116.73 2xey s GLU 205 Ca 0.00 -1.25 -0.08 0.00 -0.15 0.00 0.00 54.97 53.49 2xey s GLU 205 Cb 0.00 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 2xey s GLU 205 CO 0.00 -0.14 0.13 -0.51 0.95 0.00 0.00 175.26 175.69 2xey s LEU 206 N -2.94 4.31 0.10 1.83 1.43 -1.26 -4.18 118.68 117.96 2xey s LEU 206 Ca 0.10 0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 2xey s LEU 206 Cb 0.08 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 2xey s LEU 206 CO -0.08 0.31 1.66 -0.65 0.23 0.00 0.00 176.35 177.82 2xey h PRO 207 N 5.71 0.30 -3.77 1.29 0.11 -1.94 -3.46 132.00 130.24 2xey h PRO 207 Ca -0.49 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 2xey h PRO 207 Cb 1.20 -0.05 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 2xey h PRO 207 CO 0.66 0.33 -0.48 1.67 -0.21 0.00 0.00 178.00 179.96 2xey s TRP 208 N -5.68 0.18 0.21 0.65 -2.14 -1.26 -4.74 118.94 106.15 2xey s TRP 208 Ca -0.13 -0.49 -0.08 0.00 2.66 0.00 0.00 56.10 58.06 2xey s TRP 208 Cb 0.08 -0.12 0.16 0.00 -3.10 0.00 0.00 33.47 30.48 2xey s TRP 208 CO 0.71 -0.40 1.78 -0.44 -2.66 0.00 0.00 176.95 175.93 2xey h ASP 209 N 3.47 1.10 -5.05 -2.66 3.32 -1.94 -3.42 116.42 111.25 2xey h ASP 209 Ca -0.33 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2xey h ASP 209 Cb 1.19 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 2xey h ASP 209 CO 0.51 0.96 -0.01 0.00 -1.72 0.00 0.00 179.24 178.99 2xey s GLN 210 N -5.57 1.09 -1.34 3.56 -2.07 -1.26 -2.47 119.66 111.60 2xey s GLN 210 Ca -0.12 -0.58 -0.14 0.00 -1.82 0.00 0.00 55.36 52.70 2xey s GLN 210 Cb 0.16 0.49 0.10 0.00 -1.09 0.00 0.00 33.01 32.67 2xey s GLN 210 CO 0.84 -0.43 1.91 -0.35 -1.32 0.00 0.00 175.29 175.93 2xey n PRO 211 N -0.13 3.22 -4.21 9.60 -0.04 -1.26 -4.78 135.00 137.39 2xey n PRO 211 Ca -0.17 -3.19 -0.20 0.00 -0.04 0.00 0.00 63.50 59.90 2xey n PRO 211 Cb 0.63 -3.20 -0.12 0.00 -0.04 0.00 0.00 33.50 30.78 2xey n PRO 211 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2xey s SER 212 N 2.72 1.94 0.38 3.54 0.01 -1.26 -4.68 113.70 116.34 2xey s SER 212 Ca 0.46 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 57.15 2xey s SER 212 Cb 0.08 -0.08 0.75 0.00 0.21 0.00 0.00 66.02 66.98 2xey s SER 212 CO -0.01 -0.03 1.96 0.44 0.41 0.00 0.00 173.24 176.00 2xey h ASP 213 N 4.23 0.42 -0.70 2.44 3.32 -1.96 -0.80 116.42 123.38 2xey h ASP 213 Ca -0.42 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 2xey h ASP 213 Cb 1.19 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 2xey h ASP 213 CO 0.40 0.43 0.38 0.77 -1.72 0.00 0.00 179.24 179.50 2xey h SER 214 N 0.46 0.89 -2.90 6.45 4.64 -1.96 -3.42 113.55 117.70 2xey h SER 214 Ca 0.11 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.82 2xey h SER 214 Cb 0.18 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2xey h SER 214 CO -0.00 0.72 0.82 0.00 -0.87 0.00 0.00 176.83 177.50 2xey h GLN 216 N 7.33 0.87 -0.78 0.00 5.75 -1.82 -3.03 115.11 123.42 2xey h GLN 216 Ca -0.41 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 57.80 2xey h GLN 216 Cb 1.20 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 2xey h GLN 216 CO 0.89 0.88 0.35 0.93 -2.65 0.00 0.00 178.83 179.23 2xey h GLU 217 N 0.74 1.14 -0.75 1.69 3.07 -1.91 -2.34 114.58 116.23 2xey h GLU 217 Ca 0.15 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 2xey h GLU 217 Cb 0.46 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 2xey h GLU 217 CO 0.02 0.91 0.24 -0.92 -1.40 0.00 0.00 179.01 177.85 2xey h TYR 218 N 1.12 1.19 -0.82 4.33 3.20 -1.81 -2.67 116.97 121.51 2xey h TYR 218 Ca 0.26 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2xey h TYR 218 Cb 0.16 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 2xey h TYR 218 CO 0.02 0.94 0.37 0.77 -1.64 0.00 0.00 178.16 178.61 2xey h SER 219 N 1.11 1.10 -0.78 -2.11 0.02 -1.34 -1.74 113.55 109.81 2xey h SER 219 Ca 0.24 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2xey h SER 219 Cb 0.30 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2xey h SER 219 CO -0.01 0.94 0.32 0.44 -1.14 0.00 0.00 176.83 177.39 2xey h ASP 220 N 1.18 1.06 -0.66 3.07 3.45 -1.21 0.21 116.42 123.52 2xey h ASP 220 Ca 0.28 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 2xey h ASP 220 Cb 0.16 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 2xey h ASP 220 CO -0.03 0.94 0.27 -0.25 -1.57 0.00 0.00 179.24 178.60 2xey h TRP 221 N 1.12 1.00 -0.42 4.55 2.91 -1.17 0.87 115.95 124.80 2xey h TRP 221 Ca 0.26 -0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.16 2xey h TRP 221 Cb 0.20 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 2xey h TRP 221 CO 0.02 0.77 0.06 0.87 -1.03 0.00 0.00 178.44 179.13 2xey h LYS 222 N 0.93 0.64 0.00 2.65 1.57 -0.70 -0.45 116.57 121.21 2xey h LYS 222 Ca 0.22 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2xey h LYS 222 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2xey h LYS 222 CO -0.02 0.62 0.00 0.39 -0.57 0.00 0.00 179.45 179.87 2xey n GLU 223 N -4.28 0.02 -1.75 3.15 1.02 0.67 -4.91 120.64 114.55 2xey n GLU 223 Ca 0.02 0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2xey n GLU 223 Cb 0.23 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 2xey n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2xey n LYS 224 N -1.55 -0.40 -2.38 3.49 5.02 0.13 -4.94 118.16 117.52 2xey n LYS 224 Ca 0.06 0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 2xey n LYS 224 Cb 0.29 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 2xey n LYS 224 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2xey n LYS 225 N -2.01 3.18 -0.35 1.97 5.02 -0.23 -4.70 118.16 121.06 2xey n LYS 225 Ca -0.06 -3.22 0.05 0.00 -2.02 0.00 0.00 58.31 53.06 2xey n LYS 225 Cb 0.41 -3.29 0.20 0.00 -0.02 0.00 0.00 35.03 32.33 2xey n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2xey n THR 226 N 5.36 1.01 1.16 -0.18 -2.24 -1.26 -3.36 114.28 114.77 2xey n THR 226 Ca 0.47 -0.66 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2xey n THR 226 Cb 0.42 -0.02 0.34 0.00 -2.10 0.00 0.00 70.33 68.98 2xey n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xey n TYR 227 N 0.55 0.25 -4.35 4.78 0.18 -1.26 -3.63 117.16 113.67 2xey n TYR 227 Ca 0.15 -0.12 -0.26 0.00 1.88 0.00 0.00 57.90 59.54 2xey n TYR 227 Cb 0.55 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.41 2xey n TYR 227 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2xey s LEU 228 N -1.50 2.82 0.49 -3.48 1.43 -1.21 -4.76 118.68 112.47 2xey s LEU 228 Ca 0.31 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 2xey s LEU 228 Cb 0.17 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.87 2xey s LEU 228 CO 0.25 0.08 1.33 0.20 0.23 0.00 0.00 176.35 178.44 2xey s ASN 229 N -3.05 5.68 0.00 2.29 0.01 -1.26 -1.60 114.94 117.01 2xey s ASN 229 Ca 0.26 2.69 0.27 0.00 -0.71 0.00 0.00 52.86 55.37 2xey s ASN 229 Cb -0.08 -2.63 1.01 0.00 0.41 0.00 0.00 41.25 39.96 2xey s ASN 229 CO 0.15 -1.28 1.72 -0.81 -1.51 0.00 0.00 177.10 175.36 2xey n PRO 230 N -0.63 1.68 0.04 -0.60 -0.04 -1.26 -4.86 135.00 129.34 2xey n PRO 230 Ca 0.08 -0.99 0.02 0.00 -0.04 0.00 0.00 63.50 62.57 2xey n PRO 230 Cb 0.45 -1.47 0.39 0.00 -0.04 0.00 0.00 33.50 32.82 2xey n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2xey h TRP 231 N 2.37 0.43 -0.89 0.54 4.06 -1.58 -2.49 115.95 118.39 2xey h TRP 231 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2xey h TRP 231 Cb 0.50 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 2xey h TRP 231 CO 0.01 0.39 0.57 -0.22 -3.56 0.00 0.00 178.44 175.63 2xey h LYS 232 N 0.43 1.19 -0.59 0.49 3.64 -1.51 -2.62 116.57 117.60 2xey h LYS 232 Ca 0.10 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2xey h LYS 232 Cb 0.18 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2xey h LYS 232 CO -0.00 0.81 0.11 0.87 -2.27 0.00 0.00 179.45 178.97 2xey h LYS 233 N 1.22 0.94 -6.75 1.90 1.57 -1.76 -3.45 116.57 110.24 2xey h LYS 233 Ca 0.32 -0.22 -0.51 0.00 -1.87 0.00 0.00 60.65 58.37 2xey h LYS 233 Cb -0.10 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.11 2xey h LYS 233 CO -0.07 0.86 0.53 0.42 -0.57 0.00 0.00 179.45 180.62 2xey s ILE 234 N -5.18 3.44 0.77 1.86 1.01 -0.99 -4.97 121.20 117.14 2xey s ILE 234 Ca -0.10 1.34 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 2xey s ILE 234 Cb 0.15 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.82 2xey s ILE 234 CO 0.82 0.27 1.10 -0.62 0.00 0.00 0.00 174.94 176.51 2xey s ASP 235 N -0.39 4.50 0.24 3.58 3.68 -1.26 -4.80 116.67 122.22 2xey s ASP 235 Ca 0.49 1.86 -0.06 0.00 2.13 0.00 0.00 52.55 56.97 2xey s ASP 235 Cb -0.33 -2.53 0.25 0.00 -1.45 0.00 0.00 42.92 38.86 2xey s ASP 235 CO 0.40 -2.04 1.86 0.77 0.13 0.00 0.00 175.17 176.30 2xey h SER 236 N -1.02 1.09 -0.32 -0.34 4.64 -1.96 -1.16 113.55 114.49 2xey h SER 236 Ca -0.44 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 2xey h SER 236 Cb 1.23 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2xey h SER 236 CO 0.51 0.88 0.09 0.00 -0.87 0.00 0.00 176.83 177.44 2xey h ALA 237 N 1.30 0.42 -0.62 5.18 0.00 -2.00 -1.13 119.26 122.41 2xey h ALA 237 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2xey h ALA 237 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2xey h ALA 237 CO -0.05 0.07 0.07 -1.35 0.00 0.00 0.00 179.25 177.99 2xey h PRO 238 N 0.36 1.03 -0.63 0.00 0.11 -1.91 -2.94 132.00 128.01 2xey h PRO 238 Ca 0.10 -0.28 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 2xey h PRO 238 Cb 0.27 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 2xey h PRO 238 CO -0.00 0.97 0.18 1.25 -0.21 0.00 0.00 178.00 180.18 2xey h LEU 239 N 0.96 0.91 -0.97 2.35 5.85 -1.10 -2.28 115.31 121.03 2xey h LEU 239 Ca 0.19 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2xey h LEU 239 Cb 0.46 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2xey h LEU 239 CO 0.02 0.87 0.60 0.00 -0.34 0.00 0.00 178.44 179.58 2xey h ALA 240 N 1.25 1.23 -0.57 1.25 0.00 -1.02 0.13 119.26 121.53 2xey h ALA 240 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2xey h ALA 240 Cb 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2xey h ALA 240 CO -0.00 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.18 2xey h LEU 241 N 1.33 0.98 -0.96 0.00 5.85 -1.47 -2.99 115.31 118.05 2xey h LEU 241 Ca 0.35 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2xey h LEU 241 Cb -0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 2xey h LEU 241 CO -0.07 1.04 0.15 -0.07 -0.34 0.00 0.00 178.44 179.15 2xey h LEU 242 N 0.89 0.85 -0.98 2.25 3.38 -0.77 -1.40 115.31 119.53 2xey h LEU 242 Ca 0.16 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2xey h LEU 242 Cb 0.53 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2xey h LEU 242 CO 0.03 0.83 0.65 0.45 0.09 0.00 0.00 178.44 180.48 2xey h HIS 243 N 0.88 1.23 -0.32 1.13 3.86 -0.86 0.42 115.15 121.48 2xey h HIS 243 Ca 0.19 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2xey h HIS 243 Cb 0.30 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2xey h HIS 243 CO 0.02 0.77 -0.22 0.87 0.86 0.00 0.00 177.93 180.23 2xey h LYS 244 N 1.33 0.62 0.02 2.45 1.57 -1.30 -3.35 116.57 117.90 2xey h LYS 244 Ca 0.36 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2xey h LYS 244 Cb -0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2xey h LYS 244 CO -0.08 0.80 -0.01 0.82 -0.57 0.00 0.00 179.45 180.41 2xey h ILE 245 N 0.55 1.27 -0.74 1.86 2.04 -0.47 -2.79 117.51 119.24 2xey h ILE 245 Ca 0.08 -1.85 -0.72 0.00 1.00 0.00 0.00 64.86 63.38 2xey h ILE 245 Cb 0.68 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.05 2xey h ILE 245 CO 0.05 0.41 2.91 0.18 0.00 0.00 0.00 178.15 181.71 2xey n LEU 246 N -4.70 8.20 -4.59 1.44 4.77 0.06 -4.70 117.00 117.49 2xey n LEU 246 Ca -0.07 -4.68 -0.39 0.00 -0.03 0.00 0.00 56.01 50.84 2xey n LEU 246 Cb 0.34 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 39.88 2xey n LEU 246 CO 0.26 2.00 -0.10 -0.69 -1.33 0.00 0.00 177.39 177.53 2xey s VAL 247 N 0.19 5.27 0.29 4.08 1.01 -1.26 -4.92 120.40 125.06 2xey s VAL 247 Ca 0.59 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2xey s VAL 247 Cb 0.18 -3.60 0.29 0.00 0.00 0.00 0.00 36.38 33.24 2xey s VAL 247 CO -0.08 0.19 1.85 -0.08 0.00 0.00 0.00 175.10 176.98 2xey h GLU 248 N 8.34 0.94 -6.34 2.72 4.81 -1.94 -3.38 114.58 119.73 2xey h GLU 248 Ca -0.34 -0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.30 2xey h GLU 248 Cb 1.18 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2xey h GLU 248 CO 0.59 0.62 1.13 1.21 -0.73 0.00 0.00 179.01 181.83 2xey s ASN 249 N -5.74 6.01 0.67 1.04 3.84 -1.26 -4.59 114.94 114.90 2xey s ASN 249 Ca -0.12 0.19 0.35 0.00 0.21 0.00 0.00 52.86 53.49 2xey s ASN 249 Cb 0.22 -2.55 1.90 0.00 -0.55 0.00 0.00 41.25 40.27 2xey s ASN 249 CO 0.81 -1.83 2.07 1.55 -2.79 0.00 0.00 177.10 176.91 2xey h PRO 250 N 11.47 0.00 0.04 0.43 0.13 -1.97 0.37 132.00 142.47 2xey h PRO 250 Ca -0.27 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.63 2xey h PRO 250 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2xey h PRO 250 CO 1.20 0.00 -1.00 0.77 -0.23 0.00 0.00 178.00 178.73 2xey h SER 251 N 0.00 0.39 0.53 1.44 0.02 -1.92 -3.16 113.55 110.86 2xey h SER 251 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2xey h SER 251 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2xey h SER 251 CO -0.00 1.18 -0.40 0.00 -1.14 0.00 0.00 176.83 176.47 2xey n ALA 252 N -2.51 3.32 -1.82 3.77 0.00 0.12 -4.92 120.51 118.47 2xey n ALA 252 Ca -0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 2xey n ALA 252 Cb 0.88 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2xey n ALA 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2xey s ARG 253 N -2.93 4.20 0.48 0.00 3.52 -0.51 -4.94 118.95 118.77 2xey s ARG 253 Ca 0.13 2.43 -0.21 0.00 -0.13 0.00 0.00 55.73 57.95 2xey s ARG 253 Cb 0.18 -3.07 -0.10 0.00 -1.56 0.00 0.00 34.95 30.40 2xey s ARG 253 CO 0.65 -0.52 0.68 1.51 -0.81 0.00 0.00 175.30 176.81 2xey n ILE 254 N 2.30 2.24 -3.50 4.11 3.06 -1.05 -5.00 119.36 121.51 2xey n ILE 254 Ca 0.08 -0.50 -0.19 0.00 -2.50 0.00 0.00 62.75 59.63 2xey n ILE 254 Cb 0.39 -0.77 -0.01 0.00 0.54 0.00 0.00 39.64 39.79 2xey n ILE 254 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2xey s THR 255 N -1.51 4.23 0.28 9.51 -4.23 -1.26 -4.94 115.64 117.72 2xey s THR 255 Ca 0.66 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 2xey s THR 255 Cb -0.53 -3.48 0.22 0.00 1.34 0.00 0.00 72.50 70.05 2xey s THR 255 CO 0.56 -0.19 1.90 0.40 -0.54 0.00 0.00 174.62 176.74 2xey h ILE 256 N 0.90 1.23 -0.84 2.99 2.04 -1.97 -0.76 117.51 121.09 2xey h ILE 256 Ca -0.47 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2xey h ILE 256 Cb 1.25 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2xey h ILE 256 CO 0.54 0.26 0.51 -0.65 0.00 0.00 0.00 178.15 178.81 2xey h PRO 257 N 1.07 1.13 -0.07 2.37 0.11 -2.01 -2.01 132.00 132.59 2xey h PRO 257 Ca 0.27 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 2xey h PRO 257 Cb 0.04 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 2xey h PRO 257 CO -0.04 0.79 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.88 2xey h ASP 258 N 1.15 0.11 -0.60 -2.05 3.45 -1.74 -2.88 116.42 113.86 2xey h ASP 258 Ca 0.30 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 2xey h ASP 258 Cb -0.05 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 2xey h ASP 258 CO -0.06 0.34 0.19 0.40 -1.57 0.00 0.00 179.24 178.54 2xey h ILE 259 N 0.11 1.24 -0.58 0.35 2.04 -0.42 -2.52 117.51 117.71 2xey h ILE 259 Ca 0.02 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2xey h ILE 259 Cb 0.45 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2xey h ILE 259 CO 0.03 0.32 0.23 0.11 0.00 0.00 0.00 178.15 178.84 2xey h LYS 260 N 0.93 0.85 0.00 2.37 1.57 -1.27 -1.70 116.57 119.33 2xey h LYS 260 Ca 0.21 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2xey h LYS 260 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2xey h LYS 260 CO -0.01 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 181.20 2xey n LYS 261 N -4.33 0.12 -1.74 3.15 5.02 -0.98 -4.62 118.16 114.79 2xey n LYS 261 Ca 0.05 0.23 -0.38 0.00 -2.02 0.00 0.00 58.31 56.18 2xey n LYS 261 Cb 0.16 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.55 2xey n LYS 261 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2xey n ASP 262 N -1.88 2.56 -0.12 4.39 -0.08 -0.64 -4.91 116.55 115.87 2xey n ASP 262 Ca 0.05 0.95 -0.10 0.00 -1.51 0.00 0.00 54.79 54.18 2xey n ASP 262 Cb 0.29 -1.57 -0.02 0.00 2.34 0.00 0.00 41.12 42.16 2xey n ASP 262 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2xey h ARG 263 N 1.26 0.58 -0.50 -0.67 2.43 -1.90 -2.93 114.38 112.65 2xey h ARG 263 Ca -0.51 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 58.44 2xey h ARG 263 Cb 1.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2xey h ARG 263 CO 0.56 0.63 -0.01 2.35 -1.51 0.00 0.00 179.97 181.99 2xey h TRP 264 N 0.43 0.90 -0.62 2.20 7.01 -1.92 -2.18 115.95 121.77 2xey h TRP 264 Ca 0.11 -0.13 0.01 0.00 2.11 0.00 0.00 58.89 60.99 2xey h TRP 264 Cb 0.32 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2xey h TRP 264 CO 0.02 0.83 0.41 -0.92 -2.79 0.00 0.00 178.44 175.98 2xey h TYR 265 N 0.78 0.77 -0.61 2.65 5.03 -1.83 -2.13 116.97 121.62 2xey h TYR 265 Ca 0.15 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2xey h TYR 265 Cb 0.48 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2xey h TYR 265 CO 0.03 0.48 0.00 0.09 -1.32 0.00 0.00 178.16 177.44 2xey n ASN 266 N -4.44 4.53 -4.69 -2.11 3.02 -1.02 -4.95 115.26 105.59 2xey n ASN 266 Ca 0.06 -2.41 -0.41 0.00 -0.03 0.00 0.00 54.58 51.79 2xey n ASN 266 Cb 0.05 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 2xey n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2xey s LYS 267 N -1.77 4.37 -0.40 3.52 2.20 -0.80 -5.00 119.74 121.86 2xey s LYS 267 Ca 0.49 1.03 -0.28 0.00 -0.36 0.00 0.00 55.97 56.84 2xey s LYS 267 Cb 0.31 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2xey s LYS 267 CO 0.24 -0.18 1.63 -2.14 -0.36 0.00 0.00 175.35 174.54 2xey s PRO 268 N 1.62 3.37 0.00 4.03 0.02 -1.26 -5.02 135.00 137.75 2xey s PRO 268 Ca 0.40 1.12 0.01 0.00 0.02 0.00 0.00 61.00 62.55 2xey s PRO 268 Cb -0.17 -4.14 0.01 0.00 0.02 0.00 0.00 34.50 30.22 2xey s PRO 268 CO 0.16 -1.82 0.54 1.28 -0.33 0.00 0.00 177.00 176.84