#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj8 s ALA 7 N 0.00 2.22 -0.15 1.96 0.00 -1.26 -5.09 121.76 119.44 1aj8 s ALA 7 Ca 0.00 -2.73 -0.29 0.00 0.00 0.00 0.00 51.96 48.94 1aj8 s ALA 7 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 1aj8 s ALA 7 CO 0.00 -2.05 1.86 0.21 0.00 0.00 0.00 175.76 175.77 1aj8 s LYS 8 N 0.04 3.73 0.00 0.00 2.47 -1.26 -0.41 119.74 124.32 1aj8 s LYS 8 Ca 0.22 2.02 0.00 0.00 -1.56 0.00 0.00 55.97 56.64 1aj8 s LYS 8 Cb -0.16 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.06 1aj8 s LYS 8 CO -0.06 -1.39 0.00 0.41 0.16 0.00 0.00 175.35 174.47 1aj8 n GLY 9 N 4.88 0.99 2.41 5.54 0.00 -1.26 -4.40 105.19 113.35 1aj8 n GLY 9 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1aj8 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aj8 n LEU 10 N 0.00 -1.97 -4.70 0.99 4.77 0.45 -4.90 117.00 111.64 1aj8 n LEU 10 Ca 0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1aj8 n LEU 10 Cb 0.00 -2.93 -0.03 0.00 -2.33 0.00 0.00 43.42 38.13 1aj8 n LEU 10 CO 0.00 -0.21 1.42 -0.70 -1.33 0.00 0.00 177.39 176.57 1aj8 s GLU 11 N -5.05 4.14 -1.95 3.23 2.12 -1.26 -1.90 118.70 118.03 1aj8 s GLU 11 Ca 0.01 2.58 0.00 0.00 0.36 0.00 0.00 54.97 57.92 1aj8 s GLU 11 Cb -0.00 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1aj8 s GLU 11 CO 0.01 -0.79 0.00 -0.25 -0.54 0.00 0.00 175.26 173.69 1aj8 n ASP 12 N 4.92 -5.23 -4.56 -1.70 8.00 -1.26 -4.96 116.55 111.76 1aj8 n ASP 12 Ca 0.17 0.44 -0.42 0.00 0.71 0.00 0.00 54.79 55.69 1aj8 n ASP 12 Cb 0.37 -4.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.05 1aj8 n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1aj8 s VAL 13 N -2.70 4.86 -0.52 2.53 1.01 -0.80 -5.01 120.40 119.79 1aj8 s VAL 13 Ca 0.00 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 1aj8 s VAL 13 Cb 0.00 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1aj8 s VAL 13 CO 0.00 -0.37 0.80 -0.31 0.00 0.00 0.00 175.10 175.22 1aj8 s TYR 14 N 2.76 2.91 -0.01 5.22 1.51 -1.26 -4.93 117.35 123.56 1aj8 s TYR 14 Ca 0.25 -0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 55.94 1aj8 s TYR 14 Cb -0.14 -3.81 -0.27 0.00 -0.11 0.00 0.00 41.96 37.63 1aj8 s TYR 14 CO 0.16 -1.18 1.03 0.82 -1.11 0.00 0.00 175.55 175.27 1aj8 h ILE 15 N 5.96 1.44 -3.51 2.71 2.04 -1.99 -3.49 117.51 120.68 1aj8 h ILE 15 Ca -0.26 -2.28 -0.18 0.00 1.00 0.00 0.00 64.86 63.14 1aj8 h ILE 15 Cb 1.08 2.82 -0.04 0.00 -0.74 0.00 0.00 36.82 39.94 1aj8 h ILE 15 CO 1.02 0.66 -0.01 -0.67 0.00 0.00 0.00 178.15 179.15 1aj8 n ASP 16 N -4.14 -1.48 -4.96 1.72 2.03 -1.26 -5.16 116.55 103.30 1aj8 n ASP 16 Ca -0.12 -2.60 -0.23 0.00 0.52 0.00 0.00 54.79 52.35 1aj8 n ASP 16 Cb 0.76 2.64 -0.02 0.00 -0.72 0.00 0.00 41.12 43.77 1aj8 n ASP 16 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1aj8 s GLN 17 N -2.51 3.45 0.08 -0.67 -0.21 -1.26 -5.12 119.66 113.43 1aj8 s GLN 17 Ca 0.22 -0.63 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 1aj8 s GLN 17 Cb -0.02 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 31.14 1aj8 s GLN 17 CO 0.16 0.42 0.39 -0.08 -2.12 0.00 0.00 175.29 174.07 1aj8 s THR 18 N -1.94 0.07 0.00 -0.19 -1.32 -1.26 -5.02 115.64 105.98 1aj8 s THR 18 Ca 0.35 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1aj8 s THR 18 Cb -0.10 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1aj8 s THR 18 CO 0.30 -0.31 0.72 -0.46 -2.21 0.00 0.00 174.62 172.66 1aj8 n ASN 19 N 0.13 1.02 -0.06 8.08 0.23 -1.26 -4.84 115.26 118.57 1aj8 n ASN 19 Ca -0.17 -1.48 -0.15 0.00 -0.53 0.00 0.00 54.58 52.25 1aj8 n ASN 19 Cb 0.62 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.19 1aj8 n ASN 19 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1aj8 h ILE 20 N 1.29 1.75 -2.95 1.53 2.04 -1.95 -3.39 117.51 115.83 1aj8 h ILE 20 Ca 0.00 -2.31 -0.13 0.00 1.00 0.00 0.00 64.86 63.42 1aj8 h ILE 20 Cb 0.68 3.32 -0.23 0.00 -0.74 0.00 0.00 36.82 39.85 1aj8 h ILE 20 CO 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 178.15 178.46 1aj8 s TYR 22 N -0.44 2.11 -0.08 0.00 5.04 -0.49 -4.77 117.35 118.73 1aj8 s TYR 22 Ca -0.06 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 53.86 1aj8 s TYR 22 Cb -0.04 -1.43 -0.01 0.00 0.35 0.00 0.00 41.96 40.84 1aj8 s TYR 22 CO 0.02 -0.30 -0.23 0.42 -1.34 0.00 0.00 175.55 174.12 1aj8 s ILE 23 N 0.27 2.21 -0.65 3.14 1.01 -1.26 -1.49 121.20 124.44 1aj8 s ILE 23 Ca -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 1aj8 s ILE 23 Cb -0.15 -1.83 0.17 0.00 0.01 0.00 0.00 42.46 40.65 1aj8 s ILE 23 CO 0.06 0.56 0.49 -0.62 0.00 0.00 0.00 174.94 175.43 1aj8 s ASP 24 N -0.00 5.53 0.39 3.58 -1.08 0.17 -4.95 116.67 120.31 1aj8 s ASP 24 Ca -0.08 -2.76 0.06 0.00 -0.52 0.00 0.00 52.55 49.25 1aj8 s ASP 24 Cb -0.15 -1.92 0.78 0.00 -1.46 0.00 0.00 42.92 40.17 1aj8 s ASP 24 CO 0.05 -0.42 2.00 1.23 0.52 0.00 0.00 175.17 178.55 1aj8 h GLY 25 N 7.25 0.57 0.90 2.66 0.00 -1.83 0.41 103.07 113.03 1aj8 h GLY 25 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 1aj8 h GLY 25 CO 0.73 0.24 -0.74 0.50 0.00 0.00 0.00 176.54 177.27 1aj8 h LYS 26 N 0.54 0.49 -0.01 4.80 1.57 -1.93 -1.33 116.57 120.70 1aj8 h LYS 26 Ca 0.14 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1aj8 h LYS 26 Cb 0.06 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1aj8 h LYS 26 CO -0.02 1.17 -0.21 0.39 -0.57 0.00 0.00 179.45 180.21 1aj8 n GLU 27 N -4.11 0.98 -3.31 3.15 1.02 -1.15 -4.65 120.64 112.57 1aj8 n GLU 27 Ca -0.11 -0.57 -0.17 0.00 -0.02 0.00 0.00 57.16 56.29 1aj8 n GLU 27 Cb 0.74 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.75 1aj8 n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aj8 n GLY 28 N 1.31 -0.28 3.42 0.62 0.00 0.14 -5.02 105.19 105.37 1aj8 n GLY 28 Ca 0.13 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1aj8 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj8 s LYS 29 N -5.50 1.65 -0.02 1.61 1.02 -0.74 -4.18 119.74 113.57 1aj8 s LYS 29 Ca 0.17 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1aj8 s LYS 29 Cb -0.08 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1aj8 s LYS 29 CO 0.63 0.48 0.00 -1.17 -0.92 0.00 0.00 175.35 174.37 1aj8 s LEU 30 N -1.91 1.47 -0.02 3.17 2.96 -1.26 -0.65 118.68 122.43 1aj8 s LEU 30 Ca 0.15 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1aj8 s LEU 30 Cb -0.10 -0.12 0.00 0.00 0.50 0.00 0.00 46.19 46.47 1aj8 s LEU 30 CO 0.07 -0.06 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.63 1aj8 s TYR 31 N 0.62 1.01 -0.33 5.38 1.51 -0.55 -1.47 117.35 123.52 1aj8 s TYR 31 Ca -0.06 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 1aj8 s TYR 31 Cb -0.08 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1aj8 s TYR 31 CO -0.01 -0.09 0.11 0.71 -1.11 0.00 0.00 175.55 175.15 1aj8 s TYR 32 N 0.12 3.21 -1.56 2.71 2.02 1.00 -1.40 117.35 123.45 1aj8 s TYR 32 Ca -0.02 -1.19 -0.15 0.00 -0.37 0.00 0.00 57.07 55.35 1aj8 s TYR 32 Cb -0.08 -2.29 0.10 0.00 -0.40 0.00 0.00 41.96 39.29 1aj8 s TYR 32 CO 0.00 -0.66 0.93 0.54 -1.57 0.00 0.00 175.55 174.80 1aj8 n ARG 33 N 4.86 -5.02 0.00 -0.62 5.12 0.54 -1.42 116.66 120.12 1aj8 n ARG 33 Ca -0.13 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1aj8 n ARG 33 Cb 0.46 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1aj8 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aj8 n GLY 34 N -1.62 2.24 3.79 -0.13 0.00 -1.26 -5.00 105.19 103.21 1aj8 n GLY 34 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1aj8 n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aj8 s TYR 35 N -2.29 3.53 0.46 1.61 2.02 -0.51 -4.99 117.35 117.18 1aj8 s TYR 35 Ca 0.00 0.56 -0.24 0.00 -0.37 0.00 0.00 57.07 57.02 1aj8 s TYR 35 Cb 0.00 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 1aj8 s TYR 35 CO 0.00 0.45 1.32 -1.54 -1.57 0.00 0.00 175.55 174.21 1aj8 s SER 36 N -0.21 5.90 0.46 2.29 1.04 -1.26 -0.00 113.70 121.92 1aj8 s SER 36 Ca 0.15 2.68 0.21 0.00 0.48 0.00 0.00 55.95 59.47 1aj8 s SER 36 Cb -0.13 -2.63 1.12 0.00 0.10 0.00 0.00 66.02 64.48 1aj8 s SER 36 CO 0.04 -1.13 1.96 1.62 0.98 0.00 0.00 173.24 176.71 1aj8 h VAL 37 N 2.04 0.83 -0.17 5.02 3.04 -1.63 -2.33 116.25 123.05 1aj8 h VAL 37 Ca -0.50 -0.83 -0.01 0.00 -1.01 0.00 0.00 66.70 64.35 1aj8 h VAL 37 Cb 1.27 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1aj8 h VAL 37 CO 0.60 0.21 0.08 -0.33 -1.01 0.00 0.00 177.57 177.13 1aj8 h GLU 38 N 0.00 0.24 -0.39 4.17 3.07 -1.90 0.47 114.58 120.24 1aj8 h GLU 38 Ca -0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1aj8 h GLU 38 Cb 0.48 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1aj8 h GLU 38 CO 0.03 0.26 0.05 0.93 -1.40 0.00 0.00 179.01 178.88 1aj8 h GLU 39 N 0.15 0.65 -0.66 2.33 5.08 -1.83 -2.33 114.58 117.96 1aj8 h GLU 39 Ca 0.06 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1aj8 h GLU 39 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1aj8 h GLU 39 CO -0.01 0.72 0.19 -0.07 -1.00 0.00 0.00 179.01 178.84 1aj8 h LEU 40 N 0.49 0.98 -1.47 1.33 3.38 -1.30 0.89 115.31 119.61 1aj8 h LEU 40 Ca 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1aj8 h LEU 40 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1aj8 h LEU 40 CO 0.01 0.94 -0.11 0.00 0.09 0.00 0.00 178.44 179.37 1aj8 h ALA 41 N 1.08 1.56 0.20 1.53 0.00 -0.83 0.43 119.26 123.23 1aj8 h ALA 41 Ca 0.21 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1aj8 h ALA 41 Cb 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1aj8 h ALA 41 CO -0.00 0.32 -1.44 1.49 0.00 0.00 0.00 179.25 179.61 1aj8 h GLU 42 N 0.21 0.42 0.00 0.00 4.57 -0.85 -3.42 114.58 115.50 1aj8 h GLU 42 Ca 0.04 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1aj8 h GLU 42 Cb 0.33 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1aj8 h GLU 42 CO 0.02 1.34 -0.33 1.28 -1.18 0.00 0.00 179.01 180.14 1aj8 n LEU 43 N -3.78 0.24 0.00 1.64 4.77 0.26 -5.07 117.00 115.05 1aj8 n LEU 43 Ca -0.20 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1aj8 n LEU 43 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1aj8 n LEU 43 CO 0.53 0.06 0.00 -0.24 -1.33 0.00 0.00 177.39 176.41 1aj8 n SER 44 N -1.17 0.10 -4.12 -1.43 2.88 0.14 -5.04 113.62 104.98 1aj8 n SER 44 Ca 0.01 -0.88 -0.08 0.00 -1.33 0.00 0.00 58.87 56.58 1aj8 n SER 44 Cb 0.09 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 1aj8 n SER 44 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1aj8 s THR 45 N 1.02 0.24 0.13 2.46 -4.23 -1.26 -4.89 115.64 109.11 1aj8 s THR 45 Ca 0.00 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 1aj8 s THR 45 Cb 0.00 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 1aj8 s THR 45 CO 0.00 -0.82 1.74 0.15 -0.54 0.00 0.00 174.62 175.15 1aj8 h PHE 46 N 3.04 0.08 -0.80 3.99 3.57 -1.96 0.10 116.94 124.96 1aj8 h PHE 46 Ca -0.35 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.24 1aj8 h PHE 46 Cb 1.16 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1aj8 h PHE 46 CO 0.51 0.03 0.47 0.93 -2.23 0.00 0.00 178.31 178.02 1aj8 h GLU 47 N 0.14 0.80 -0.40 1.11 3.07 -1.97 0.28 114.58 117.60 1aj8 h GLU 47 Ca 0.10 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 1aj8 h GLU 47 Cb 0.09 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1aj8 h GLU 47 CO -0.12 0.53 -0.36 1.49 -1.40 0.00 0.00 179.01 179.15 1aj8 h GLU 48 N 0.83 0.96 -0.56 2.33 4.81 -1.85 -2.11 114.58 118.98 1aj8 h GLU 48 Ca 0.37 -0.49 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1aj8 h GLU 48 Cb 0.27 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1aj8 h GLU 48 CO -0.21 1.15 0.07 0.28 -0.73 0.00 0.00 179.01 179.57 1aj8 h VAL 49 N 0.79 1.25 -0.41 0.32 2.07 0.05 -0.99 116.25 119.32 1aj8 h VAL 49 Ca 0.07 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1aj8 h VAL 49 Cb 0.95 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1aj8 h VAL 49 CO 0.09 0.36 0.15 0.58 0.02 0.00 0.00 177.57 178.76 1aj8 h VAL 50 N 0.86 1.21 -0.49 2.57 2.07 -0.32 0.48 116.25 122.63 1aj8 h VAL 50 Ca 0.17 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1aj8 h VAL 50 Cb 0.41 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1aj8 h VAL 50 CO 0.01 0.24 0.28 0.22 0.02 0.00 0.00 177.57 178.33 1aj8 h TYR 51 N 0.52 0.51 -0.02 1.57 5.03 -1.06 -0.39 116.97 123.12 1aj8 h TYR 51 Ca 0.13 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1aj8 h TYR 51 Cb 0.22 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1aj8 h TYR 51 CO 0.01 0.28 -0.02 1.25 -1.32 0.00 0.00 178.16 178.35 1aj8 h LEU 52 N 0.55 -0.06 -0.53 2.82 5.85 -0.82 -0.43 115.31 122.70 1aj8 h LEU 52 Ca 0.21 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1aj8 h LEU 52 Cb 0.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1aj8 h LEU 52 CO -0.11 -0.03 0.28 -0.07 -0.34 0.00 0.00 178.44 178.17 1aj8 h LEU 53 N -0.02 0.42 0.00 2.25 3.38 -0.46 0.52 115.31 121.40 1aj8 h LEU 53 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1aj8 h LEU 53 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1aj8 h LEU 53 CO -0.04 0.29 -0.16 -0.50 0.09 0.00 0.00 178.44 178.13 1aj8 h TRP 54 N 0.55 0.15 -0.18 1.13 4.06 -0.98 -3.36 115.95 117.31 1aj8 h TRP 54 Ca 0.23 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1aj8 h TRP 54 Cb 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1aj8 h TRP 54 CO -0.09 0.91 0.00 0.91 -3.56 0.00 0.00 178.44 176.61 1aj8 n TRP 55 N -4.58 0.22 -0.88 0.49 8.01 -0.18 -4.99 117.44 115.53 1aj8 n TRP 55 Ca -0.10 -0.11 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 1aj8 n TRP 55 Cb 0.47 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 1aj8 n TRP 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1aj8 n GLY 56 N 1.39 0.82 3.14 6.99 0.00 0.18 -5.00 105.19 112.71 1aj8 n GLY 56 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1aj8 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aj8 s LYS 57 N -0.20 0.66 0.24 1.61 -2.85 -1.22 -4.98 119.74 113.00 1aj8 s LYS 57 Ca 0.00 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 53.85 1aj8 s LYS 57 Cb 0.00 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.94 1aj8 s LYS 57 CO 0.00 -0.18 1.35 -0.51 0.10 0.00 0.00 175.35 176.12 1aj8 s LEU 58 N -2.36 4.41 0.73 2.77 1.43 -1.26 -3.95 118.68 120.45 1aj8 s LEU 58 Ca -0.02 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 1aj8 s LEU 58 Cb 0.01 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1aj8 s LEU 58 CO -0.06 -0.58 1.07 -2.16 0.23 0.00 0.00 176.35 174.85 1aj8 s PRO 59 N -0.52 2.66 0.76 1.29 0.04 -1.26 -5.04 135.00 132.93 1aj8 s PRO 59 Ca 0.56 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1aj8 s PRO 59 Cb -0.39 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.29 1aj8 s PRO 59 CO 0.43 -1.28 1.07 -1.54 0.04 0.00 0.00 177.00 175.71 1aj8 s SER 60 N -3.79 4.36 0.14 6.66 1.04 -1.26 -4.79 113.70 116.06 1aj8 s SER 60 Ca 0.59 0.19 -0.20 0.00 0.48 0.00 0.00 55.95 57.01 1aj8 s SER 60 Cb -0.14 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1aj8 s SER 60 CO 0.55 -1.89 1.67 -0.07 0.98 0.00 0.00 173.24 174.48 1aj8 h LEU 61 N -0.78 -0.44 -0.49 2.42 -0.00 -2.00 -0.93 115.31 113.10 1aj8 h LEU 61 Ca -0.42 0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.52 1aj8 h LEU 61 Cb 1.29 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 42.16 1aj8 h LEU 61 CO 0.50 -0.17 0.17 -1.28 -0.00 0.00 0.00 178.44 177.67 1aj8 h SER 62 N -0.12 0.69 -0.45 -0.43 0.87 -1.99 -2.11 113.55 110.01 1aj8 h SER 62 Ca 0.13 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1aj8 h SER 62 Cb 0.31 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1aj8 h SER 62 CO -0.30 0.69 0.26 -0.33 -0.53 0.00 0.00 176.83 176.62 1aj8 h GLU 63 N 0.65 0.62 -0.30 2.24 5.08 -1.82 -1.47 114.58 119.57 1aj8 h GLU 63 Ca 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1aj8 h GLU 63 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1aj8 h GLU 63 CO -0.01 0.48 0.04 1.25 -1.00 0.00 0.00 179.01 179.77 1aj8 h LEU 64 N 0.59 0.49 -0.56 1.33 5.85 -1.12 -1.56 115.31 120.33 1aj8 h LEU 64 Ca 0.16 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1aj8 h LEU 64 Cb 0.03 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1aj8 h LEU 64 CO -0.03 0.64 0.37 -0.08 -0.34 0.00 0.00 178.44 179.00 1aj8 h GLU 65 N 0.33 0.74 -0.41 1.25 4.57 -1.24 0.65 114.58 120.46 1aj8 h GLU 65 Ca 0.09 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1aj8 h GLU 65 Cb 0.36 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1aj8 h GLU 65 CO 0.01 0.49 0.13 -0.97 -1.18 0.00 0.00 179.01 177.49 1aj8 h ASN 66 N 0.76 0.60 -0.41 1.04 -0.73 -1.20 -1.55 115.58 114.09 1aj8 h ASN 66 Ca 0.21 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1aj8 h ASN 66 Cb -0.08 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 1aj8 h ASN 66 CO -0.05 0.64 0.27 0.15 -0.37 0.00 0.00 177.43 178.08 1aj8 h PHE 67 N 0.52 0.52 -0.09 0.67 3.57 -0.87 -1.02 116.94 120.23 1aj8 h PHE 67 Ca 0.13 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1aj8 h PHE 67 Cb 0.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1aj8 h PHE 67 CO 0.01 0.33 -0.03 0.87 -2.23 0.00 0.00 178.31 177.25 1aj8 h LYS 68 N 0.55 0.12 -0.12 1.11 1.57 -0.73 -1.31 116.57 117.77 1aj8 h LYS 68 Ca 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1aj8 h LYS 68 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1aj8 h LYS 68 CO -0.03 0.17 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.73 1aj8 h LYS 69 N 0.12 0.25 -0.70 3.15 3.64 -0.34 -1.50 116.57 121.19 1aj8 h LYS 69 Ca 0.03 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1aj8 h LYS 69 Cb 0.15 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1aj8 h LYS 69 CO 0.01 0.60 0.45 0.93 -2.27 0.00 0.00 179.45 179.17 1aj8 h GLU 70 N -0.11 0.88 0.07 1.90 5.08 -0.61 -1.65 114.58 120.14 1aj8 h GLU 70 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1aj8 h GLU 70 Cb 0.53 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1aj8 h GLU 70 CO 0.02 0.58 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.51 1aj8 h LEU 71 N 0.90 -0.08 -1.28 1.33 3.38 -1.24 -2.97 115.31 115.36 1aj8 h LEU 71 Ca 0.27 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1aj8 h LEU 71 Cb -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1aj8 h LEU 71 CO -0.08 0.20 0.52 0.00 0.09 0.00 0.00 178.44 179.16 1aj8 h ALA 72 N 0.56 1.58 0.00 1.53 0.00 -1.10 -0.83 119.26 121.01 1aj8 h ALA 72 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aj8 h ALA 72 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aj8 h ALA 72 CO 0.01 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.21 1aj8 n LYS 73 N -4.47 0.04 -0.21 0.00 4.76 -0.64 -3.08 118.16 114.58 1aj8 n LYS 73 Ca 0.11 0.19 0.08 0.00 -2.87 0.00 0.00 58.31 55.82 1aj8 n LYS 73 Cb 0.17 -1.57 0.19 0.00 -1.84 0.00 0.00 35.03 31.98 1aj8 n LYS 73 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1aj8 n SER 74 N -1.64 3.12 0.16 4.39 7.64 -0.33 -4.60 113.62 122.36 1aj8 n SER 74 Ca 0.05 -1.95 0.03 0.00 1.01 0.00 0.00 58.87 58.01 1aj8 n SER 74 Cb 0.25 -0.27 0.20 0.00 -1.01 0.00 0.00 64.21 63.38 1aj8 n SER 74 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1aj8 h ARG 75 N 2.80 0.00 -7.20 1.43 3.08 -1.46 -3.36 114.38 109.67 1aj8 h ARG 75 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1aj8 h ARG 75 Cb 0.79 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.95 1aj8 h ARG 75 CO 0.00 0.48 0.37 0.20 -1.07 0.00 0.00 179.97 179.95 1aj8 s GLY 76 N -4.42 2.14 -0.07 0.04 0.00 -1.26 -4.53 107.32 99.21 1aj8 s GLY 76 Ca 0.01 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.31 1aj8 s GLY 76 CO 0.72 0.91 -0.15 1.08 0.00 0.00 0.00 173.10 175.66 1aj8 s LEU 77 N -4.95 2.66 0.60 0.66 1.43 -1.26 -4.96 118.68 112.86 1aj8 s LEU 77 Ca 0.67 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 1aj8 s LEU 77 Cb -0.21 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1aj8 s LEU 77 CO 0.43 0.28 1.24 -2.84 0.23 0.00 0.00 176.35 175.69 1aj8 s PRO 78 N -0.34 2.91 0.32 1.29 0.02 -1.26 -4.83 135.00 133.10 1aj8 s PRO 78 Ca 0.03 1.93 0.08 0.00 0.02 0.00 0.00 61.00 63.06 1aj8 s PRO 78 Cb -0.13 -1.95 0.80 0.00 0.02 0.00 0.00 34.50 33.24 1aj8 s PRO 78 CO 0.02 -1.28 1.78 -0.22 -0.33 0.00 0.00 177.00 176.97 1aj8 h LYS 79 N 0.90 0.68 -0.03 5.54 1.63 -2.00 0.46 116.57 123.75 1aj8 h LYS 79 Ca -0.51 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.21 1aj8 h LYS 79 Cb 1.31 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1aj8 h LYS 79 CO 0.55 0.45 -0.16 0.93 -3.45 0.00 0.00 179.45 177.77 1aj8 h GLU 80 N 0.70 0.04 -0.12 1.90 5.08 -1.99 -1.52 114.58 118.68 1aj8 h GLU 80 Ca 0.58 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.79 1aj8 h GLU 80 Cb 0.98 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1aj8 h GLU 80 CO -0.36 0.21 -0.46 0.28 -1.00 0.00 0.00 179.01 177.67 1aj8 h VAL 81 N 0.04 1.36 -0.57 3.13 2.07 -1.26 -2.41 116.25 118.62 1aj8 h VAL 81 Ca 0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1aj8 h VAL 81 Cb 0.31 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1aj8 h VAL 81 CO 0.02 0.53 0.32 0.40 0.02 0.00 0.00 177.57 178.87 1aj8 h ILE 82 N 0.13 1.17 -0.66 4.57 2.04 -1.17 -0.83 117.51 122.76 1aj8 h ILE 82 Ca -0.02 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1aj8 h ILE 82 Cb 1.10 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1aj8 h ILE 82 CO 0.10 0.18 0.26 -0.33 0.00 0.00 0.00 178.15 178.36 1aj8 h GLU 83 N 0.79 0.99 -0.56 2.37 5.08 -1.20 -0.16 114.58 121.88 1aj8 h GLU 83 Ca 0.20 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1aj8 h GLU 83 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1aj8 h GLU 83 CO -0.04 0.83 0.04 0.82 -1.00 0.00 0.00 179.01 179.66 1aj8 h ILE 84 N 0.93 1.25 -0.70 3.13 1.08 -0.78 -2.07 117.51 120.34 1aj8 h ILE 84 Ca 0.22 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 1aj8 h ILE 84 Cb 0.21 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1aj8 h ILE 84 CO -0.02 0.37 0.34 0.24 -0.69 0.00 0.00 178.15 178.39 1aj8 h MET 85 N 0.86 1.01 0.00 2.37 2.86 -0.49 -1.40 114.93 120.15 1aj8 h MET 85 Ca 0.17 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1aj8 h MET 85 Cb 0.46 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1aj8 h MET 85 CO 0.02 0.80 0.00 0.93 1.06 0.00 0.00 176.91 179.71 1aj8 h GLU 86 N 0.98 0.00 0.00 1.72 5.08 -0.66 -2.85 114.58 118.85 1aj8 h GLU 86 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1aj8 h GLU 86 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1aj8 h GLU 86 CO -0.03 0.00 -0.82 0.00 -1.00 0.00 0.00 179.01 177.16 1aj8 n ALA 87 N -1.93 2.93 -1.77 3.43 0.00 -0.56 -4.93 120.51 117.68 1aj8 n ALA 87 Ca 0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1aj8 n ALA 87 Cb 0.24 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1aj8 n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aj8 s LEU 88 N -4.44 3.76 0.23 0.00 1.43 -1.00 -4.96 118.68 113.70 1aj8 s LEU 88 Ca 0.04 2.04 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 1aj8 s LEU 88 Cb 0.13 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.66 1aj8 s LEU 88 CO 0.76 -1.04 1.64 -2.84 0.23 0.00 0.00 176.35 175.09 1aj8 s PRO 89 N -3.34 4.14 0.64 1.29 0.02 -1.26 -4.86 135.00 131.62 1aj8 s PRO 89 Ca 0.70 2.55 0.39 0.00 0.02 0.00 0.00 61.00 64.65 1aj8 s PRO 89 Cb -0.20 -3.07 2.20 0.00 0.02 0.00 0.00 34.50 33.45 1aj8 s PRO 89 CO 0.25 -0.67 2.33 0.87 -0.33 0.00 0.00 177.00 179.45 1aj8 h LYS 90 N 6.03 0.00 -0.20 5.54 1.79 -1.92 -0.72 116.57 127.08 1aj8 h LYS 90 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1aj8 h LYS 90 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1aj8 h LYS 90 CO 0.88 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.53 1aj8 n ASN 91 N -3.38 1.27 -4.71 0.86 6.94 -1.26 -4.87 115.26 110.10 1aj8 n ASN 91 Ca -0.03 -1.86 -0.42 0.00 -0.02 0.00 0.00 54.58 52.25 1aj8 n ASN 91 Cb 0.08 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1aj8 n ASN 91 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1aj8 s THR 92 N -1.74 3.81 0.33 5.53 2.01 -0.28 -4.98 115.64 120.32 1aj8 s THR 92 Ca 0.22 1.29 -0.28 0.00 0.31 0.00 0.00 61.69 63.23 1aj8 s THR 92 Cb 0.11 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1aj8 s THR 92 CO 0.16 0.10 1.27 -1.00 -0.69 0.00 0.00 174.62 174.45 1aj8 s HIS 93 N 1.13 3.11 0.29 4.92 3.76 -1.26 -4.76 115.29 122.48 1aj8 s HIS 93 Ca 0.61 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.99 1aj8 s HIS 93 Cb -0.32 -3.60 0.68 0.00 1.11 0.00 0.00 32.58 30.46 1aj8 s HIS 93 CO 0.29 -1.64 1.60 -1.35 -0.85 0.00 0.00 174.74 172.79 1aj8 h PRO 94 N 3.34 0.06 -0.63 8.40 0.11 -1.94 0.49 132.00 141.84 1aj8 h PRO 94 Ca -0.49 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1aj8 h PRO 94 Cb 1.23 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1aj8 h PRO 94 CO 0.65 0.04 0.10 0.52 -0.21 0.00 0.00 178.00 179.10 1aj8 h MET 95 N 0.06 1.03 -0.57 1.05 2.86 -1.91 0.18 114.93 117.64 1aj8 h MET 95 Ca 0.55 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.82 1aj8 h MET 95 Cb 1.11 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1aj8 h MET 95 CO -0.82 0.95 -0.07 0.78 1.06 0.00 0.00 176.91 178.81 1aj8 h GLY 96 N 1.04 1.14 0.94 8.32 0.00 -1.36 -1.30 103.07 111.85 1aj8 h GLY 96 Ca 0.19 -0.89 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 1aj8 h GLY 96 CO 0.01 0.82 -0.03 0.00 0.00 0.00 0.00 176.54 177.34 1aj8 h ALA 97 N 0.96 0.52 -0.87 3.60 0.00 -0.68 -2.57 119.26 120.21 1aj8 h ALA 97 Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1aj8 h ALA 97 Cb 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1aj8 h ALA 97 CO 0.04 0.32 0.54 1.25 0.00 0.00 0.00 179.25 181.40 1aj8 h LEU 98 N 0.51 1.04 -0.12 0.00 5.85 -0.52 -1.21 115.31 120.86 1aj8 h LEU 98 Ca 0.10 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1aj8 h LEU 98 Cb 0.51 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1aj8 h LEU 98 CO 0.03 0.79 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.78 1aj8 h ARG 99 N 1.19 -0.02 -0.61 1.25 2.43 -1.08 0.86 114.38 118.40 1aj8 h ARG 99 Ca 0.31 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1aj8 h ARG 99 Cb -0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1aj8 h ARG 99 CO -0.06 -0.01 0.12 1.15 -1.51 0.00 0.00 179.97 179.66 1aj8 h THR 100 N -0.02 1.26 -0.47 0.20 2.02 -1.14 -1.86 112.91 112.90 1aj8 h THR 100 Ca 0.06 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 1aj8 h THR 100 Cb 0.11 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1aj8 h THR 100 CO -0.13 0.36 -0.04 0.40 0.37 0.00 0.00 175.52 176.48 1aj8 h ILE 101 N 0.91 1.27 -0.61 3.11 1.08 -0.94 -1.16 117.51 121.17 1aj8 h ILE 101 Ca 0.19 -1.13 -0.06 0.00 -0.39 0.00 0.00 64.86 63.47 1aj8 h ILE 101 Cb 0.40 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1aj8 h ILE 101 CO 0.01 0.39 0.14 0.40 -0.69 0.00 0.00 178.15 178.40 1aj8 h ILE 102 N 0.71 1.24 -0.67 -0.67 2.04 -0.73 0.37 117.51 119.81 1aj8 h ILE 102 Ca 0.13 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1aj8 h ILE 102 Cb 0.57 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1aj8 h ILE 102 CO 0.03 0.34 0.42 -1.28 0.00 0.00 0.00 178.15 177.66 1aj8 h SER 103 N 0.91 0.80 -0.53 1.72 0.87 -1.06 -1.36 113.55 114.89 1aj8 h SER 103 Ca 0.19 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1aj8 h SER 103 Cb 0.33 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1aj8 h SER 103 CO 0.00 0.61 0.02 0.22 -0.53 0.00 0.00 176.83 177.15 1aj8 h TYR 104 N 0.92 1.01 -0.78 2.24 3.20 -0.69 -1.66 116.97 121.20 1aj8 h TYR 104 Ca 0.24 -0.17 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1aj8 h TYR 104 Cb -0.05 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 37.90 1aj8 h TYR 104 CO -0.02 0.92 0.51 -0.07 -1.64 0.00 0.00 178.16 177.86 1aj8 h LEU 105 N 0.80 0.76 -0.57 2.82 3.38 -0.46 0.57 115.31 122.61 1aj8 h LEU 105 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1aj8 h LEU 105 Cb 0.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1aj8 h LEU 105 CO 0.02 0.49 0.10 1.23 0.09 0.00 0.00 178.44 180.38 1aj8 h GLY 106 N 0.86 1.01 0.97 0.83 0.00 -0.69 -1.96 103.07 104.09 1aj8 h GLY 106 Ca 0.33 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 47.02 1aj8 h GLY 106 CO -0.11 0.62 0.66 3.43 0.00 0.00 0.00 176.54 181.14 1aj8 h ASN 107 N 0.84 1.14 0.65 0.19 2.35 -0.02 -2.34 115.58 118.38 1aj8 h ASN 107 Ca 0.17 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1aj8 h ASN 107 Cb 0.40 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1aj8 h ASN 107 CO 0.01 0.81 -0.19 2.30 -1.65 0.00 0.00 177.43 178.71 1aj8 n ILE 108 N -4.40 0.00 -2.86 2.81 -5.35 -0.55 -4.83 119.36 104.17 1aj8 n ILE 108 Ca 0.12 -0.02 -0.41 0.00 -0.27 0.00 0.00 62.75 62.18 1aj8 n ILE 108 Cb 0.04 -0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 37.76 1aj8 n ILE 108 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1aj8 s ASP 109 N -2.84 7.19 0.20 7.28 -1.08 -0.75 -4.93 116.67 121.73 1aj8 s ASP 109 Ca 0.18 1.43 0.18 0.00 -0.52 0.00 0.00 52.55 53.82 1aj8 s ASP 109 Cb 0.19 -2.50 0.83 0.00 -1.46 0.00 0.00 42.92 39.98 1aj8 s ASP 109 CO 0.57 -0.20 1.54 0.47 0.52 0.00 0.00 175.17 178.06 1aj8 n ASP 110 N 3.91 0.42 -0.58 -0.34 8.00 -1.26 -1.07 116.55 125.63 1aj8 n ASP 110 Ca 0.03 0.65 0.07 0.00 0.71 0.00 0.00 54.79 56.25 1aj8 n ASP 110 Cb 0.51 -0.72 0.18 0.00 -0.02 0.00 0.00 41.12 41.07 1aj8 n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aj8 n SER 111 N -2.02 3.16 0.08 -2.24 7.64 -1.26 -4.70 113.62 114.27 1aj8 n SER 111 Ca 0.01 -2.65 0.09 0.00 1.01 0.00 0.00 58.87 57.33 1aj8 n SER 111 Cb 0.11 -0.38 0.39 0.00 -1.01 0.00 0.00 64.21 63.32 1aj8 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aj8 n GLY 112 N -0.40 -1.03 0.03 0.23 0.00 -0.23 -2.74 105.19 101.05 1aj8 n GLY 112 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1aj8 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aj8 n ASP 113 N -1.91 0.57 -4.73 1.61 8.00 -1.26 -4.75 116.55 114.08 1aj8 n ASP 113 Ca 0.02 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 1aj8 n ASP 113 Cb 0.16 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1aj8 n ASP 113 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1aj8 s ILE 114 N -0.66 2.48 0.23 0.53 1.01 -1.11 -4.61 121.20 119.08 1aj8 s ILE 114 Ca 0.01 0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 1aj8 s ILE 114 Cb 0.01 -3.24 -0.11 0.00 0.01 0.00 0.00 42.46 39.13 1aj8 s ILE 114 CO 0.04 0.05 1.57 -2.84 0.00 0.00 0.00 174.94 173.76 1aj8 s PRO 115 N 0.25 4.18 0.34 2.79 0.02 -1.26 -4.08 135.00 137.24 1aj8 s PRO 115 Ca 0.65 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.84 1aj8 s PRO 115 Cb -0.44 -3.09 -0.12 0.00 0.02 0.00 0.00 34.50 30.87 1aj8 s PRO 115 CO 0.39 -0.59 1.36 1.33 -0.33 0.00 0.00 177.00 179.16 1aj8 n VAL 116 N 2.99 1.89 -3.95 3.83 0.24 -0.81 -4.98 118.33 117.54 1aj8 n VAL 116 Ca 0.11 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1aj8 n VAL 116 Cb 0.38 -1.68 -0.10 0.00 -1.47 0.00 0.00 33.84 30.97 1aj8 n VAL 116 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1aj8 s THR 117 N -0.98 0.12 0.19 3.34 -4.23 -1.26 -4.97 115.64 107.86 1aj8 s THR 117 Ca 0.56 -1.02 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 1aj8 s THR 117 Cb -0.55 -0.66 0.18 0.00 1.34 0.00 0.00 72.50 72.81 1aj8 s THR 117 CO 0.61 -0.56 1.63 -0.65 -0.54 0.00 0.00 174.62 175.11 1aj8 h PRO 118 N 4.04 -0.05 -0.47 3.99 0.11 -1.88 0.50 132.00 138.24 1aj8 h PRO 118 Ca -0.32 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1aj8 h PRO 118 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1aj8 h PRO 118 CO 0.47 -0.03 0.09 1.49 -0.21 0.00 0.00 178.00 179.80 1aj8 h GLU 119 N -0.05 0.77 -0.24 1.05 4.81 -1.98 -2.87 114.58 116.07 1aj8 h GLU 119 Ca 0.26 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1aj8 h GLU 119 Cb 0.45 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1aj8 h GLU 119 CO -0.59 0.77 -0.30 1.49 -0.73 0.00 0.00 179.01 179.65 1aj8 h GLU 120 N 0.64 0.47 -0.60 1.92 4.22 -1.87 -2.55 114.58 116.81 1aj8 h GLU 120 Ca 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1aj8 h GLU 120 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1aj8 h GLU 120 CO 0.01 0.73 0.29 0.28 -2.18 0.00 0.00 179.01 178.13 1aj8 h VAL 121 N 0.41 1.21 -0.31 0.32 2.07 -0.77 -0.63 116.25 118.56 1aj8 h VAL 121 Ca 0.05 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 1aj8 h VAL 121 Cb 0.73 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1aj8 h VAL 121 CO 0.06 0.24 -0.39 1.88 0.02 0.00 0.00 177.57 179.38 1aj8 h TYR 122 N 0.83 0.87 0.11 1.57 0.05 -1.41 0.32 116.97 119.31 1aj8 h TYR 122 Ca 0.21 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1aj8 h TYR 122 Cb 0.12 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1aj8 h TYR 122 CO -0.00 1.00 -0.07 -0.09 -1.05 0.00 0.00 178.16 177.95 1aj8 h ARG 123 N 0.60 -0.17 -0.10 4.88 2.43 -1.09 -0.54 114.38 120.39 1aj8 h ARG 123 Ca 0.05 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 1aj8 h ARG 123 Cb 0.93 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1aj8 h ARG 123 CO 0.09 -0.12 -0.59 0.82 -1.51 0.00 0.00 179.97 178.66 1aj8 h ILE 124 N -0.18 1.37 -0.95 1.20 2.04 -1.10 -3.06 117.51 116.82 1aj8 h ILE 124 Ca -0.01 -1.92 0.07 0.00 1.00 0.00 0.00 64.86 63.99 1aj8 h ILE 124 Cb 0.15 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1aj8 h ILE 124 CO 0.01 0.58 0.62 1.23 0.00 0.00 0.00 178.15 180.58 1aj8 h GLY 125 N 1.34 1.42 1.01 5.37 0.00 0.10 -1.02 103.07 111.29 1aj8 h GLY 125 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1aj8 h GLY 125 CO 0.10 0.32 0.39 -2.22 0.00 0.00 0.00 176.54 175.13 1aj8 h ILE 126 N 1.10 1.22 0.12 2.60 2.04 -1.00 0.77 117.51 124.35 1aj8 h ILE 126 Ca 0.41 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1aj8 h ILE 126 Cb 0.19 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1aj8 h ILE 126 CO -0.16 0.24 -0.06 -1.28 0.00 0.00 0.00 178.15 176.89 1aj8 h SER 127 N 0.97 -0.14 -0.12 1.72 0.87 -1.31 -2.22 113.55 113.32 1aj8 h SER 127 Ca 0.25 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1aj8 h SER 127 Cb 0.03 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1aj8 h SER 127 CO -0.04 0.15 -0.46 0.58 -0.53 0.00 0.00 176.83 176.53 1aj8 h VAL 128 N -0.44 1.30 -0.64 2.23 2.07 -1.18 -2.48 116.25 117.10 1aj8 h VAL 128 Ca -0.02 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1aj8 h VAL 128 Cb 0.36 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1aj8 h VAL 128 CO 0.03 0.53 0.37 0.74 0.02 0.00 0.00 177.57 179.25 1aj8 h THR 129 N 0.54 1.20 0.00 2.57 2.02 -0.88 -2.28 112.91 116.08 1aj8 h THR 129 Ca 0.03 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 1aj8 h THR 129 Cb 1.00 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1aj8 h THR 129 CO 0.09 0.21 -0.43 0.00 0.37 0.00 0.00 175.52 175.77 1aj8 h ALA 130 N 1.18 1.17 0.00 6.16 0.00 -1.33 -3.28 119.26 123.17 1aj8 h ALA 130 Ca 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1aj8 h ALA 130 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1aj8 h ALA 130 CO -0.04 0.54 -0.83 0.87 0.00 0.00 0.00 179.25 179.79 1aj8 h LYS 131 N 0.00 0.00 -0.45 0.00 1.57 -1.05 -3.39 116.57 113.25 1aj8 h LYS 131 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1aj8 h LYS 131 Cb 0.82 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1aj8 h LYS 131 CO 0.06 0.17 0.04 0.82 -0.57 0.00 0.00 179.45 179.96 1aj8 h ILE 132 N 0.00 0.70 -0.24 1.86 2.04 -1.48 -0.54 117.51 119.86 1aj8 h ILE 132 Ca -0.04 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1aj8 h ILE 132 Cb 1.22 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1aj8 h ILE 132 CO 0.02 0.03 -0.04 -0.65 0.00 0.00 0.00 178.15 177.52 1aj8 h PRO 133 N 0.16 0.36 -0.57 2.37 0.11 -1.80 0.53 132.00 133.15 1aj8 h PRO 133 Ca 0.22 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1aj8 h PRO 133 Cb 0.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1aj8 h PRO 133 CO -0.33 0.42 0.11 1.15 -0.21 0.00 0.00 178.00 179.14 1aj8 h THR 134 N 0.35 1.25 0.02 -1.15 2.02 -1.49 0.16 112.91 114.07 1aj8 h THR 134 Ca 0.08 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1aj8 h THR 134 Cb 0.29 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1aj8 h THR 134 CO 0.01 0.35 -0.01 0.40 0.37 0.00 0.00 175.52 176.64 1aj8 h ILE 135 N 0.83 1.25 0.36 3.11 2.04 -0.64 -2.51 117.51 121.96 1aj8 h ILE 135 Ca 0.18 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1aj8 h ILE 135 Cb 0.38 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1aj8 h ILE 135 CO 0.01 0.22 -0.20 0.58 0.00 0.00 0.00 178.15 178.76 1aj8 h VAL 136 N -0.40 0.59 0.04 1.67 2.07 -0.81 0.07 116.25 119.48 1aj8 h VAL 136 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1aj8 h VAL 136 Cb 0.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1aj8 h VAL 136 CO 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.53 1aj8 h ALA 137 N 0.10 -0.10 0.00 1.67 0.00 -1.06 -2.75 119.26 117.13 1aj8 h ALA 137 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1aj8 h ALA 137 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aj8 h ALA 137 CO 0.06 -0.57 0.00 -0.91 0.00 0.00 0.00 179.25 177.83 1aj8 h ASN 138 N -0.13 0.00 -0.13 0.00 2.35 -1.42 -2.24 115.58 114.01 1aj8 h ASN 138 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1aj8 h ASN 138 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1aj8 h ASN 138 CO -0.03 0.00 -0.30 -0.25 -1.65 0.00 0.00 177.43 175.19 1aj8 h TRP 139 N 0.00 0.56 -0.48 1.19 -0.00 -0.69 0.00 115.95 116.53 1aj8 h TRP 139 Ca 0.00 -0.21 0.01 0.00 -0.00 0.00 0.00 58.89 58.69 1aj8 h TRP 139 Cb 0.50 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.53 1aj8 h TRP 139 CO 0.00 0.92 0.30 -0.92 -0.00 0.00 0.00 178.44 178.74 1aj8 h TYR 140 N 0.04 0.56 0.37 2.65 3.20 -1.18 -0.36 116.97 122.25 1aj8 h TYR 140 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1aj8 h TYR 140 Cb 0.90 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1aj8 h TYR 140 CO 0.10 0.34 -0.18 0.00 -1.64 0.00 0.00 178.16 176.78 1aj8 h ARG 141 N 0.60 -0.48 -0.34 1.82 3.08 -1.36 -3.03 114.38 114.67 1aj8 h ARG 141 Ca 0.18 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.33 1aj8 h ARG 141 Cb -0.03 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1aj8 h ARG 141 CO -0.06 -0.20 0.00 0.82 -1.07 0.00 0.00 179.97 179.46 1aj8 h ILE 142 N -0.73 0.76 0.00 2.04 2.04 -0.91 0.53 117.51 121.24 1aj8 h ILE 142 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1aj8 h ILE 142 Cb 0.50 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1aj8 h ILE 142 CO 0.08 0.02 0.00 2.29 0.00 0.00 0.00 178.15 180.54 1aj8 n LYS 143 N -5.17 0.03 -0.08 2.37 2.85 -0.15 -2.15 118.16 115.85 1aj8 n LYS 143 Ca 0.01 0.42 0.03 0.00 -1.05 0.00 0.00 58.31 57.72 1aj8 n LYS 143 Cb 0.17 -1.57 0.07 0.00 -0.65 0.00 0.00 35.03 33.06 1aj8 n LYS 143 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1aj8 n ASN 144 N -1.62 2.41 0.00 -5.58 4.13 -0.49 -4.95 115.26 109.17 1aj8 n ASN 144 Ca 0.01 -2.20 0.00 0.00 1.68 0.00 0.00 54.58 54.08 1aj8 n ASN 144 Cb 0.08 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1aj8 n ASN 144 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aj8 n GLY 145 N -0.34 0.77 3.87 7.41 0.00 -0.91 -5.05 105.19 110.94 1aj8 n GLY 145 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1aj8 n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aj8 s LEU 146 N 0.00 3.77 0.57 0.99 1.43 0.06 -4.99 118.68 120.51 1aj8 s LEU 146 Ca 0.00 1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 54.15 1aj8 s LEU 146 Cb 0.00 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1aj8 s LEU 146 CO 0.00 -0.46 1.12 -1.61 0.23 0.00 0.00 176.35 175.64 1aj8 s GLU 147 N -3.94 3.21 0.20 1.70 2.02 -1.26 -3.86 118.70 116.78 1aj8 s GLU 147 Ca 0.53 1.54 -0.30 0.00 0.02 0.00 0.00 54.97 56.76 1aj8 s GLU 147 Cb -0.10 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 1aj8 s GLU 147 CO 0.32 -0.95 1.24 -0.47 0.02 0.00 0.00 175.26 175.42 1aj8 s TYR 148 N -1.95 3.35 -0.31 1.61 6.14 -1.26 -4.79 117.35 120.15 1aj8 s TYR 148 Ca 0.71 1.36 -0.01 0.00 0.64 0.00 0.00 57.07 59.77 1aj8 s TYR 148 Cb -0.23 -3.50 0.06 0.00 0.42 0.00 0.00 41.96 38.71 1aj8 s TYR 148 CO 0.31 -1.46 0.01 0.08 0.64 0.00 0.00 175.55 175.14 1aj8 s VAL 149 N -0.13 2.96 0.72 3.14 1.01 -1.26 -5.10 120.40 121.74 1aj8 s VAL 149 Ca 0.53 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 1aj8 s VAL 149 Cb -0.34 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1aj8 s VAL 149 CO 0.38 -0.17 1.18 -2.16 0.00 0.00 0.00 175.10 174.33 1aj8 s PRO 150 N 1.23 2.28 0.64 2.72 0.04 -1.26 -4.84 135.00 135.81 1aj8 s PRO 150 Ca -0.04 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 1aj8 s PRO 150 Cb -0.20 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1aj8 s PRO 150 CO -0.02 -1.70 1.17 -2.14 0.04 0.00 0.00 177.00 174.35 1aj8 s PRO 151 N -3.98 2.75 -0.32 0.56 0.02 -1.26 -4.91 135.00 127.86 1aj8 s PRO 151 Ca 0.72 1.64 -0.06 0.00 0.02 0.00 0.00 61.00 63.32 1aj8 s PRO 151 Cb -0.27 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.36 1aj8 s PRO 151 CO 0.45 -1.34 0.09 0.21 -0.33 0.00 0.00 177.00 176.08 1aj8 s LYS 152 N -3.71 2.80 0.27 5.54 2.20 -1.26 -5.01 119.74 120.57 1aj8 s LYS 152 Ca 0.73 -1.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1aj8 s LYS 152 Cb -0.26 -3.41 0.52 0.00 -1.51 0.00 0.00 37.83 33.17 1aj8 s LYS 152 CO 0.38 -0.58 1.80 1.49 -0.36 0.00 0.00 175.35 178.08 1aj8 h GLU 153 N 8.22 0.76 0.00 4.03 4.81 -1.95 -2.22 114.58 128.23 1aj8 h GLU 153 Ca -0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1aj8 h GLU 153 Cb 1.10 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1aj8 h GLU 153 CO 0.60 0.50 -0.01 1.57 -0.73 0.00 0.00 179.01 180.95 1aj8 h LYS 154 N 0.78 0.00 -7.07 1.92 2.10 -1.97 -3.44 116.57 108.88 1aj8 h LYS 154 Ca 0.47 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.64 1aj8 h LYS 154 Cb 0.56 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1aj8 h LYS 154 CO -0.31 0.01 0.30 -0.51 -2.00 0.00 0.00 179.45 176.94 1aj8 s LEU 155 N -6.22 3.73 0.81 7.07 1.43 -0.84 -5.06 118.68 119.61 1aj8 s LEU 155 Ca -0.02 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1aj8 s LEU 155 Cb 0.11 -4.37 0.08 0.00 0.03 0.00 0.00 46.19 42.03 1aj8 s LEU 155 CO 0.49 -0.50 1.09 -0.94 0.23 0.00 0.00 176.35 176.72 1aj8 s SER 156 N -2.95 4.33 0.20 2.29 1.04 -1.26 -4.70 113.70 112.65 1aj8 s SER 156 Ca 0.57 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 58.36 1aj8 s SER 156 Cb -0.10 -2.21 0.23 0.00 0.10 0.00 0.00 66.02 64.04 1aj8 s SER 156 CO 0.28 -2.09 1.69 -0.74 0.98 0.00 0.00 173.24 173.37 1aj8 h HIS 157 N -1.17 0.08 -0.30 5.02 2.76 -1.96 0.22 115.15 119.80 1aj8 h HIS 157 Ca -0.47 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 1aj8 h HIS 157 Cb 1.26 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 1aj8 h HIS 157 CO 0.49 -0.07 0.03 0.00 -1.30 0.00 0.00 177.93 177.09 1aj8 h ALA 158 N 1.45 0.40 -0.41 5.26 0.00 -1.91 -2.53 119.26 121.51 1aj8 h ALA 158 Ca 0.27 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1aj8 h ALA 158 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1aj8 h ALA 158 CO -0.40 0.10 -0.28 0.00 0.00 0.00 0.00 179.25 178.67 1aj8 h ALA 159 N 0.86 0.71 -0.54 0.00 0.00 -1.76 -3.00 119.26 115.54 1aj8 h ALA 159 Ca 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1aj8 h ALA 159 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1aj8 h ALA 159 CO 0.01 0.67 0.24 -0.97 0.00 0.00 0.00 179.25 179.19 1aj8 h ASN 160 N 0.76 0.70 -0.17 0.00 -0.73 -0.53 0.11 115.58 115.72 1aj8 h ASN 160 Ca 0.09 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1aj8 h ASN 160 Cb 0.85 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 1aj8 h ASN 160 CO 0.07 0.62 0.08 0.15 -0.37 0.00 0.00 177.43 177.98 1aj8 h PHE 161 N 0.77 0.24 -0.42 0.67 3.57 -1.31 -0.12 116.94 120.34 1aj8 h PHE 161 Ca 0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1aj8 h PHE 161 Cb 0.12 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1aj8 h PHE 161 CO 0.01 0.28 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.28 1aj8 h LEU 162 N 0.14 0.67 -0.23 0.59 3.38 -1.35 -1.28 115.31 117.23 1aj8 h LEU 162 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1aj8 h LEU 162 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1aj8 h LEU 162 CO -0.01 0.75 0.04 0.22 0.09 0.00 0.00 178.44 179.53 1aj8 h TYR 163 N 0.65 0.41 -0.37 1.13 3.20 -0.47 -0.13 116.97 121.38 1aj8 h TYR 163 Ca 0.13 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1aj8 h TYR 163 Cb 0.44 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1aj8 h TYR 163 CO 0.02 0.51 0.04 0.52 -1.64 0.00 0.00 178.16 177.61 1aj8 h MET 164 N 0.18 0.64 -0.41 1.82 2.86 -0.86 0.82 114.93 119.98 1aj8 h MET 164 Ca 0.07 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1aj8 h MET 164 Cb 0.33 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1aj8 h MET 164 CO 0.00 0.72 0.17 1.25 1.06 0.00 0.00 176.91 180.11 1aj8 h LEU 165 N 0.47 0.57 0.00 1.22 5.85 -1.20 -3.24 115.31 118.97 1aj8 h LEU 165 Ca 0.11 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1aj8 h LEU 165 Cb 0.41 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1aj8 h LEU 165 CO 0.01 0.58 -0.99 1.41 -0.34 0.00 0.00 178.44 179.11 1aj8 n HIS 166 N -4.64 0.65 -1.21 1.25 8.25 -0.07 -4.93 115.22 114.53 1aj8 n HIS 166 Ca 0.00 0.19 -0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1aj8 n HIS 166 Cb 0.14 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 1aj8 n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aj8 n GLY 167 N 1.26 0.92 3.17 -1.41 0.00 0.28 -4.98 105.19 104.44 1aj8 n GLY 167 Ca 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1aj8 n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aj8 s GLU 168 N -2.42 0.30 0.26 1.61 2.56 -1.02 -5.02 118.70 114.98 1aj8 s GLU 168 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 54.97 55.34 1aj8 s GLU 168 Cb 0.00 -0.06 -0.11 0.00 2.00 0.00 0.00 34.13 35.96 1aj8 s GLU 168 CO 0.00 -0.16 1.60 -1.21 -0.56 0.00 0.00 175.26 174.93 1aj8 s GLU 169 N 1.38 4.15 0.59 4.30 2.02 -1.26 -3.82 118.70 126.06 1aj8 s GLU 169 Ca -0.09 2.53 -0.15 0.00 0.02 0.00 0.00 54.97 57.28 1aj8 s GLU 169 Cb -0.09 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1aj8 s GLU 169 CO -0.11 -0.63 1.04 -1.25 0.02 0.00 0.00 175.26 174.33 1aj8 s PRO 170 N -0.01 3.43 0.68 0.39 0.04 -1.26 -4.97 135.00 133.29 1aj8 s PRO 170 Ca 0.66 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1aj8 s PRO 170 Cb -0.47 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1aj8 s PRO 170 CO 0.43 -0.71 1.11 -1.25 0.04 0.00 0.00 177.00 176.62 1aj8 s PRO 171 N -4.32 2.70 0.30 0.56 0.04 -1.26 -4.77 135.00 128.25 1aj8 s PRO 171 Ca 0.61 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1aj8 s PRO 171 Cb -0.14 -1.94 0.79 0.00 0.04 0.00 0.00 34.50 33.26 1aj8 s PRO 171 CO 0.40 -1.32 1.69 -0.22 0.04 0.00 0.00 177.00 177.59 1aj8 h LYS 172 N -0.17 0.39 -0.27 4.56 3.64 -2.00 0.06 116.57 122.78 1aj8 h LYS 172 Ca -0.46 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1aj8 h LYS 172 Cb 1.24 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1aj8 h LYS 172 CO 0.54 0.26 0.01 1.49 -2.27 0.00 0.00 179.45 179.47 1aj8 h GLU 173 N 0.40 0.40 -0.07 1.90 4.81 -2.00 -1.87 114.58 118.14 1aj8 h GLU 173 Ca 0.59 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1aj8 h GLU 173 Cb 1.17 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1aj8 h GLU 173 CO -0.54 0.42 -0.42 -1.49 -0.73 0.00 0.00 179.01 176.25 1aj8 h TRP 174 N 0.39 0.57 -0.81 0.92 4.06 -1.35 -1.86 115.95 117.87 1aj8 h TRP 174 Ca 0.09 -0.26 0.09 0.00 2.06 0.00 0.00 58.89 60.87 1aj8 h TRP 174 Cb 0.25 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.25 1aj8 h TRP 174 CO 0.01 1.02 0.46 1.49 -3.56 0.00 0.00 178.44 177.86 1aj8 h GLU 175 N -0.04 0.76 0.13 0.49 4.22 -1.20 0.78 114.58 119.72 1aj8 h GLU 175 Ca -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1aj8 h GLU 175 Cb 1.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aj8 h GLU 175 CO 0.09 0.50 -0.06 -0.22 -2.18 0.00 0.00 179.01 177.13 1aj8 h LYS 176 N 0.78 -0.17 -0.70 1.92 1.63 -1.29 0.13 116.57 118.87 1aj8 h LYS 176 Ca 0.39 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1aj8 h LYS 176 Cb 0.34 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1aj8 h LYS 176 CO -0.24 0.01 0.42 0.00 -3.45 0.00 0.00 179.45 176.19 1aj8 h ALA 177 N 0.53 0.89 -0.37 5.00 0.00 -0.89 0.11 119.26 124.52 1aj8 h ALA 177 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1aj8 h ALA 177 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1aj8 h ALA 177 CO 0.03 0.36 0.07 1.98 0.00 0.00 0.00 179.25 181.69 1aj8 h MET 178 N 0.95 0.60 -0.51 0.00 1.85 -0.78 -0.32 114.93 116.72 1aj8 h MET 178 Ca 0.25 -0.15 0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1aj8 h MET 178 Cb -0.04 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 31.89 1aj8 h MET 178 CO -0.05 0.66 0.33 0.22 -0.40 0.00 0.00 176.91 177.67 1aj8 h ASP 179 N 0.45 0.56 -0.67 1.39 3.58 -0.40 -1.61 116.42 119.72 1aj8 h ASP 179 Ca 0.11 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1aj8 h ASP 179 Cb 0.33 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1aj8 h ASP 179 CO 0.00 0.40 0.19 0.58 -2.88 0.00 0.00 179.24 177.54 1aj8 h VAL 180 N 0.67 1.25 -0.51 2.25 2.07 -0.61 -2.01 116.25 119.36 1aj8 h VAL 180 Ca 0.19 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1aj8 h VAL 180 Cb -0.05 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1aj8 h VAL 180 CO -0.05 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.21 1aj8 h ALA 181 N 1.17 0.65 -0.69 1.67 0.00 -0.50 0.09 119.26 121.66 1aj8 h ALA 181 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1aj8 h ALA 181 Cb 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1aj8 h ALA 181 CO -0.00 0.04 0.19 -0.07 0.00 0.00 0.00 179.25 179.41 1aj8 h LEU 182 N 0.64 1.02 -0.44 0.00 3.38 -1.05 -1.82 115.31 117.04 1aj8 h LEU 182 Ca 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1aj8 h LEU 182 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1aj8 h LEU 182 CO -0.07 0.96 0.13 0.40 0.09 0.00 0.00 178.44 179.95 1aj8 h ILE 183 N 1.04 1.22 0.00 1.22 2.04 -0.81 -0.36 117.51 121.87 1aj8 h ILE 183 Ca 0.22 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1aj8 h ILE 183 Cb 0.32 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1aj8 h ILE 183 CO -0.00 0.27 -0.16 -0.07 0.00 0.00 0.00 178.15 178.18 1aj8 h LEU 184 N 0.58 0.00 -0.44 1.44 3.38 -0.68 -2.62 115.31 116.96 1aj8 h LEU 184 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1aj8 h LEU 184 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1aj8 h LEU 184 CO -0.00 0.16 -0.70 -1.22 0.09 0.00 0.00 178.44 176.77 1aj8 n TYR 185 N -3.61 0.00 -0.25 1.13 4.01 -0.71 -4.63 117.16 113.09 1aj8 n TYR 185 Ca -0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 1aj8 n TYR 185 Cb 0.29 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.45 1aj8 n TYR 185 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aj8 h ALA 186 N 3.41 1.00 -2.41 -0.72 0.00 -0.67 -2.99 119.26 116.88 1aj8 h ALA 186 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1aj8 h ALA 186 Cb 0.61 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.16 1aj8 h ALA 186 CO 0.00 -0.07 -0.11 -2.00 0.00 0.00 0.00 179.25 177.07 1aj8 s GLU 187 N -6.05 0.72 -0.40 0.00 2.56 -1.26 -1.23 118.70 113.03 1aj8 s GLU 187 Ca -0.13 0.29 0.10 0.00 0.00 0.00 0.00 54.97 55.23 1aj8 s GLU 187 Cb 0.18 0.34 0.38 0.00 2.00 0.00 0.00 34.13 37.04 1aj8 s GLU 187 CO 0.76 -0.17 1.24 1.58 -0.56 0.00 0.00 175.26 178.12 1aj8 n HIS 188 N 1.84 -1.99 -3.79 5.30 -0.00 -1.26 -5.07 115.22 110.25 1aj8 n HIS 188 Ca -0.17 -2.14 0.00 0.00 0.46 0.00 0.00 57.72 55.87 1aj8 n HIS 188 Cb 0.56 1.29 0.00 0.00 -0.12 0.00 0.00 29.99 31.72 1aj8 n HIS 188 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1aj8 n GLU 189 N -0.32 0.00 -2.93 1.57 2.13 -1.26 -3.75 120.64 116.08 1aj8 n GLU 189 Ca 0.01 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.40 1aj8 n GLU 189 Cb 0.81 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.53 1aj8 n GLU 189 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1aj8 n ILE 190 N 0.00 5.36 -1.57 6.31 3.06 -1.26 -4.81 119.36 126.46 1aj8 n ILE 190 Ca 0.00 -5.85 -0.30 0.00 -2.50 0.00 0.00 62.75 54.10 1aj8 n ILE 190 Cb 0.00 -2.05 0.19 0.00 0.54 0.00 0.00 39.64 38.32 1aj8 n ILE 190 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1aj8 s ASN 191 N -1.61 2.59 0.18 9.51 2.20 -1.25 -4.66 114.94 121.91 1aj8 s ASN 191 Ca 0.32 0.58 -0.14 0.00 -0.94 0.00 0.00 52.86 52.68 1aj8 s ASN 191 Cb 0.06 -0.84 0.18 0.00 -2.00 0.00 0.00 41.25 38.65 1aj8 s ASN 191 CO 0.08 -3.09 1.68 0.00 -2.94 0.00 0.00 177.10 172.84 1aj8 h ALA 192 N -1.88 0.44 -0.36 3.54 0.00 -1.95 -0.09 119.26 118.96 1aj8 h ALA 192 Ca -0.46 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1aj8 h ALA 192 Cb 1.28 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1aj8 h ALA 192 CO 0.44 -0.40 -0.21 0.66 0.00 0.00 0.00 179.25 179.74 1aj8 h SER 193 N 0.09 0.69 0.19 0.00 4.64 -1.87 -1.61 113.55 115.68 1aj8 h SER 193 Ca 0.24 -0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1aj8 h SER 193 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1aj8 h SER 193 CO -0.43 0.89 -0.51 0.74 -0.87 0.00 0.00 176.83 176.65 1aj8 h THR 194 N 0.60 1.34 -0.62 2.95 2.02 -1.74 -1.72 112.91 115.74 1aj8 h THR 194 Ca 0.09 -1.76 -0.10 0.00 0.77 0.00 0.00 66.41 65.41 1aj8 h THR 194 Cb 0.68 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1aj8 h THR 194 CO 0.05 0.53 0.00 0.25 0.37 0.00 0.00 175.52 176.73 1aj8 h LEU 195 N 0.28 1.06 -0.49 2.58 5.85 -0.73 -0.59 115.31 123.28 1aj8 h LEU 195 Ca 0.01 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1aj8 h LEU 195 Cb 1.00 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1aj8 h LEU 195 CO 0.09 1.11 0.25 0.00 -0.34 0.00 0.00 178.44 179.55 1aj8 h ALA 196 N 1.00 0.63 -0.30 1.25 0.00 -1.04 0.10 119.26 120.90 1aj8 h ALA 196 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aj8 h ALA 196 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1aj8 h ALA 196 CO 0.03 0.17 0.18 0.28 0.00 0.00 0.00 179.25 179.92 1aj8 h VAL 197 N 0.65 1.10 -0.10 0.00 2.07 -1.04 -2.20 116.25 116.72 1aj8 h VAL 197 Ca 0.17 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1aj8 h VAL 197 Cb 0.08 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1aj8 h VAL 197 CO -0.02 0.09 -0.34 0.24 0.02 0.00 0.00 177.57 177.55 1aj8 h MET 198 N 0.38 0.20 -0.30 1.57 2.07 -0.81 -1.13 114.93 116.91 1aj8 h MET 198 Ca 0.11 -0.08 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 1aj8 h MET 198 Cb -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 1aj8 h MET 198 CO -0.02 0.52 -0.01 1.15 1.07 0.00 0.00 176.91 179.62 1aj8 h THR 199 N 0.17 1.26 -0.55 2.22 2.02 -0.49 0.18 112.91 117.72 1aj8 h THR 199 Ca 0.02 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 1aj8 h THR 199 Cb 0.70 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1aj8 h THR 199 CO 0.05 0.31 0.00 0.58 0.37 0.00 0.00 175.52 176.84 1aj8 h VAL 200 N 0.34 1.26 -0.14 3.16 2.07 -1.28 -2.62 116.25 119.04 1aj8 h VAL 200 Ca 0.08 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1aj8 h VAL 200 Cb 0.46 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1aj8 h VAL 200 CO 0.02 0.40 -0.06 1.23 0.02 0.00 0.00 177.57 179.17 1aj8 h GLY 201 N 0.85 0.23 2.00 2.17 0.00 -0.94 -2.52 103.07 104.85 1aj8 h GLY 201 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1aj8 h GLY 201 CO 0.03 0.11 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 1aj8 n SER 202 N -4.35 0.25 -1.06 0.19 3.41 0.60 -0.90 113.62 111.76 1aj8 n SER 202 Ca -0.01 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1aj8 n SER 202 Cb 0.21 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 63.74 1aj8 n SER 202 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aj8 n THR 203 N -1.79 0.34 -2.03 6.66 -2.24 -0.95 -3.84 114.28 110.43 1aj8 n THR 203 Ca 0.02 -0.65 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1aj8 n THR 203 Cb 0.13 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1aj8 n THR 203 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aj8 n LEU 204 N 1.36 -1.35 0.00 3.22 4.32 -0.08 -5.02 117.00 119.44 1aj8 n LEU 204 Ca 0.18 0.04 -0.19 0.00 -0.02 0.00 0.00 56.01 56.03 1aj8 n LEU 204 Cb 0.58 -1.76 0.15 0.00 -1.62 0.00 0.00 43.42 40.78 1aj8 n LEU 204 CO 0.16 -0.20 0.43 -0.24 -1.22 0.00 0.00 177.39 176.31 1aj8 n SER 205 N -0.01 -1.22 -4.90 -1.43 2.88 -1.23 -3.78 113.62 103.93 1aj8 n SER 205 Ca -0.12 -1.02 -0.28 0.00 -1.33 0.00 0.00 58.87 56.11 1aj8 n SER 205 Cb 0.55 -0.63 0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1aj8 n SER 205 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1aj8 s ASP 206 N -3.54 5.45 0.14 -3.46 -4.77 -1.26 -1.93 116.67 107.31 1aj8 s ASP 206 Ca 0.45 0.90 -0.18 0.00 -3.30 0.00 0.00 52.55 50.42 1aj8 s ASP 206 Cb -0.04 -1.77 0.02 0.00 -1.09 0.00 0.00 42.92 40.05 1aj8 s ASP 206 CO 0.34 -1.25 1.73 0.22 0.70 0.00 0.00 175.17 176.92 1aj8 h TYR 207 N -0.45 0.10 -0.56 2.11 5.03 -1.86 -2.54 116.97 118.81 1aj8 h TYR 207 Ca -0.45 0.02 0.01 0.00 2.58 0.00 0.00 58.73 60.89 1aj8 h TYR 207 Cb 1.26 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.51 1aj8 h TYR 207 CO 0.47 0.03 0.36 1.88 -1.32 0.00 0.00 178.16 179.58 1aj8 h TYR 208 N 0.17 0.68 -0.88 -3.82 -1.99 -1.94 -0.94 116.97 108.26 1aj8 h TYR 208 Ca 0.14 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.91 1aj8 h TYR 208 Cb 0.14 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 1aj8 h TYR 208 CO -0.17 0.41 0.57 0.77 -0.00 0.00 0.00 178.16 179.75 1aj8 h SER 209 N 0.72 0.96 0.12 3.88 0.02 -1.86 -0.38 113.55 117.01 1aj8 h SER 209 Ca 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1aj8 h SER 209 Cb -0.05 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1aj8 h SER 209 CO -0.06 0.67 -0.06 0.00 -1.14 0.00 0.00 176.83 176.23 1aj8 h ALA 210 N 1.35 -0.16 -0.85 3.77 0.00 -0.98 -2.68 119.26 119.71 1aj8 h ALA 210 Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1aj8 h ALA 210 Cb -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1aj8 h ALA 210 CO -0.11 -0.48 0.56 0.82 0.00 0.00 0.00 179.25 180.04 1aj8 h ILE 211 N -0.39 1.20 -0.12 0.00 1.08 -1.00 -1.50 117.51 116.77 1aj8 h ILE 211 Ca -0.02 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 1aj8 h ILE 211 Cb 0.31 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 1aj8 h ILE 211 CO 0.03 0.21 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.51 1aj8 h LEU 212 N 1.12 0.18 -0.71 1.44 3.38 -0.99 0.27 115.31 120.00 1aj8 h LEU 212 Ca 0.32 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1aj8 h LEU 212 Cb -0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1aj8 h LEU 212 CO -0.08 0.32 -0.25 0.00 0.09 0.00 0.00 178.44 178.52 1aj8 h ALA 213 N 1.71 0.89 -0.37 1.53 0.00 -0.94 -1.16 119.26 120.92 1aj8 h ALA 213 Ca 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1aj8 h ALA 213 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1aj8 h ALA 213 CO 0.02 0.62 0.09 0.78 0.00 0.00 0.00 179.25 180.76 1aj8 h GLY 214 N 0.98 0.64 0.98 0.00 0.00 -0.64 -2.20 103.07 102.83 1aj8 h GLY 214 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1aj8 h GLY 214 CO 0.06 0.38 0.25 -2.22 0.00 0.00 0.00 176.54 175.00 1aj8 h ILE 215 N 0.46 1.15 -0.93 2.60 2.04 -0.82 0.26 117.51 122.27 1aj8 h ILE 215 Ca 0.12 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1aj8 h ILE 215 Cb 0.31 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1aj8 h ILE 215 CO 0.00 0.16 0.56 1.23 0.00 0.00 0.00 178.15 180.10 1aj8 h GLY 216 N 0.57 1.34 0.68 5.37 0.00 -1.12 -2.13 103.07 107.78 1aj8 h GLY 216 Ca 0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1aj8 h GLY 216 CO -0.03 0.54 -0.32 0.00 0.00 0.00 0.00 176.54 176.74 1aj8 h ALA 217 N 1.34 0.12 -0.53 3.60 0.00 -1.08 -3.24 119.26 119.48 1aj8 h ALA 217 Ca 0.33 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1aj8 h ALA 217 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1aj8 h ALA 217 CO -0.06 0.18 0.36 1.25 0.00 0.00 0.00 179.25 180.98 1aj8 h LEU 218 N -0.17 0.28 -1.65 0.00 5.85 -0.84 -1.69 115.31 117.10 1aj8 h LEU 218 Ca -0.02 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.82 1aj8 h LEU 218 Cb 0.97 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1aj8 h LEU 218 CO 0.07 0.17 0.43 0.50 -0.34 0.00 0.00 178.44 179.27 1aj8 h LYS 219 N 0.31 0.37 -6.47 1.25 3.64 -1.40 -0.98 116.57 113.29 1aj8 h LYS 219 Ca 0.24 -0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.99 1aj8 h LYS 219 Cb 0.55 -0.08 0.10 0.00 -0.41 0.00 0.00 32.23 32.38 1aj8 h LYS 219 CO -0.06 0.24 0.21 0.41 -2.27 0.00 0.00 179.45 177.99 1aj8 n GLY 220 N -1.53 -0.07 0.31 5.01 0.00 -0.64 -3.91 105.19 104.36 1aj8 n GLY 220 Ca 0.11 0.38 0.19 0.00 0.00 0.00 0.00 46.02 46.70 1aj8 n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aj8 h PRO 221 N 2.49 0.00 -0.69 1.61 0.13 -1.86 0.22 132.00 133.90 1aj8 h PRO 221 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1aj8 h PRO 221 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1aj8 h PRO 221 CO 0.64 0.02 0.00 0.44 -0.23 0.00 0.00 178.00 178.87 1aj8 n ILE 222 N -3.38 0.97 0.00 -3.56 -5.35 -1.26 -2.65 119.36 104.13 1aj8 n ILE 222 Ca -0.03 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1aj8 n ILE 222 Cb 0.12 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 1aj8 n ILE 222 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1aj8 n HIS 223 N 1.55 0.00 0.17 4.28 -0.00 -0.26 -4.91 115.22 116.05 1aj8 n HIS 223 Ca 0.23 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.59 1aj8 n HIS 223 Cb 0.61 0.00 0.79 0.00 -0.12 0.00 0.00 29.99 31.26 1aj8 n HIS 223 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1aj8 h GLY 224 N 0.00 0.00 2.00 1.57 0.00 -1.24 -1.94 103.07 103.46 1aj8 h GLY 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aj8 h GLY 224 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1aj8 h GLY 225 N 0.00 0.00 2.00 4.60 0.00 -0.14 -2.62 103.07 106.91 1aj8 h GLY 225 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1aj8 h GLY 225 CO -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1aj8 h ALA 226 N 2.06 1.14 -0.11 3.60 0.00 -1.11 -1.59 119.26 123.24 1aj8 h ALA 226 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1aj8 h ALA 226 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1aj8 h ALA 226 CO 0.00 0.03 -0.05 -0.24 0.00 0.00 0.00 179.25 178.98 1aj8 h VAL 227 N 0.00 1.11 0.14 0.00 3.04 -1.64 0.62 116.25 119.52 1aj8 h VAL 227 Ca -0.00 -0.47 -0.33 0.00 -1.01 0.00 0.00 66.70 64.89 1aj8 h VAL 227 Cb 0.14 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1aj8 h VAL 227 CO 0.00 0.15 -1.66 -0.33 -1.01 0.00 0.00 177.57 174.72 1aj8 h GLU 228 N 0.16 0.30 -0.38 4.17 5.08 -1.53 -3.30 114.58 119.08 1aj8 h GLU 228 Ca 0.04 -0.52 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1aj8 h GLU 228 Cb 0.21 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1aj8 h GLU 228 CO 0.01 1.18 -0.03 0.93 -1.00 0.00 0.00 179.01 180.10 1aj8 h GLU 229 N 0.08 0.61 0.17 2.33 4.39 -1.06 -2.54 114.58 118.57 1aj8 h GLU 229 Ca -0.30 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1aj8 h GLU 229 Cb 2.05 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1aj8 h GLU 229 CO 0.16 0.66 -0.08 0.00 -1.16 0.00 0.00 179.01 178.59 1aj8 h ALA 230 N 1.39 -0.23 -0.70 3.43 0.00 0.11 -1.62 119.26 121.64 1aj8 h ALA 230 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1aj8 h ALA 230 Cb 0.41 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1aj8 h ALA 230 CO 0.02 -0.51 0.19 0.97 0.00 0.00 0.00 179.25 179.92 1aj8 h ILE 231 N -0.46 1.26 0.00 0.00 2.10 -1.62 -1.83 117.51 116.96 1aj8 h ILE 231 Ca -0.02 -0.93 -0.04 0.00 1.08 0.00 0.00 64.86 64.95 1aj8 h ILE 231 Cb 0.36 0.51 -0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1aj8 h ILE 231 CO 0.04 0.36 -0.17 0.11 -1.08 0.00 0.00 178.15 177.41 1aj8 h LYS 232 N 1.05 0.00 -0.24 2.19 1.57 -1.43 -1.72 116.57 117.98 1aj8 h LYS 232 Ca 0.22 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1aj8 h LYS 232 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1aj8 h LYS 232 CO -0.00 0.17 -0.45 0.37 -0.57 0.00 0.00 179.45 178.97 1aj8 h GLN 233 N 0.00 0.62 -0.13 3.15 4.15 -0.47 0.12 115.11 122.55 1aj8 h GLN 233 Ca -0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 1aj8 h GLN 233 Cb 0.31 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1aj8 h GLN 233 CO 0.02 0.94 0.02 0.74 -1.93 0.00 0.00 178.83 178.62 1aj8 h PHE 234 N 0.50 0.22 -0.25 3.99 0.04 -0.77 -1.57 116.94 119.10 1aj8 h PHE 234 Ca 0.03 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1aj8 h PHE 234 Cb 0.98 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1aj8 h PHE 234 CO 0.04 0.40 0.07 0.52 -0.60 0.00 0.00 178.31 178.74 1aj8 h MET 235 N -0.02 0.35 -0.11 1.51 2.86 -1.27 -2.50 114.93 115.76 1aj8 h MET 235 Ca 0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1aj8 h MET 235 Cb 0.30 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1aj8 h MET 235 CO 0.00 0.33 0.01 1.49 1.06 0.00 0.00 176.91 179.80 1aj8 h GLU 236 N 0.35 0.19 -0.86 1.72 4.81 -0.40 -2.84 114.58 117.56 1aj8 h GLU 236 Ca 0.09 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1aj8 h GLU 236 Cb 0.13 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 1aj8 h GLU 236 CO -0.00 0.43 0.45 0.82 -0.73 0.00 0.00 179.01 179.97 1aj8 h ILE 237 N -0.07 0.74 0.00 2.32 2.04 -0.87 -3.46 117.51 118.21 1aj8 h ILE 237 Ca 0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1aj8 h ILE 237 Cb 0.34 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1aj8 h ILE 237 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.88 1aj8 n GLY 238 N -1.32 2.29 3.54 5.37 0.00 -1.02 -4.77 105.19 109.28 1aj8 n GLY 238 Ca 0.17 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1aj8 n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aj8 s SER 239 N 0.00 -0.67 0.65 1.61 1.04 -1.26 -5.02 113.70 110.04 1aj8 s SER 239 Ca 0.00 0.85 0.22 0.00 0.48 0.00 0.00 55.95 57.50 1aj8 s SER 239 Cb 0.00 0.70 1.14 0.00 0.10 0.00 0.00 66.02 67.97 1aj8 s SER 239 CO 0.00 -0.55 1.64 1.55 0.98 0.00 0.00 173.24 176.86 1aj8 h PRO 240 N 3.36 0.00 0.00 4.02 0.13 -1.89 0.47 132.00 138.08 1aj8 h PRO 240 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1aj8 h PRO 240 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1aj8 h PRO 240 CO 0.33 0.00 -0.52 0.93 -0.23 0.00 0.00 178.00 178.51 1aj8 h GLU 241 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.28 114.58 113.27 1aj8 h GLU 241 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1aj8 h GLU 241 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1aj8 h GLU 241 CO -0.00 0.52 -0.74 1.63 -1.40 0.00 0.00 179.01 179.01 1aj8 n LYS 242 N -3.24 0.23 -0.01 2.33 5.02 0.15 -4.53 118.16 118.11 1aj8 n LYS 242 Ca 0.02 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 1aj8 n LYS 242 Cb 0.74 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 1aj8 n LYS 242 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1aj8 h VAL 243 N 0.00 0.01 -0.58 -0.18 2.07 -1.61 -0.15 116.25 115.82 1aj8 h VAL 243 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1aj8 h VAL 243 Cb 0.69 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 1aj8 h VAL 243 CO 0.00 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 177.65 1aj8 h GLU 244 N -0.57 0.27 0.65 1.57 4.81 -1.81 0.60 114.58 120.09 1aj8 h GLU 244 Ca 0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1aj8 h GLU 244 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1aj8 h GLU 244 CO -0.44 0.18 -0.50 1.49 -0.73 0.00 0.00 179.01 179.01 1aj8 h GLU 245 N 0.28 -1.06 -0.49 1.92 4.81 -1.74 -2.18 114.58 116.12 1aj8 h GLU 245 Ca 0.30 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.69 1aj8 h GLU 245 Cb 0.42 0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.96 1aj8 h GLU 245 CO -0.37 -0.71 0.03 2.35 -0.73 0.00 0.00 179.01 179.58 1aj8 h TRP 246 N -1.10 0.03 -0.81 0.92 7.01 -0.50 -1.99 115.95 119.51 1aj8 h TRP 246 Ca -0.08 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.09 1aj8 h TRP 246 Cb 0.92 0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 27.95 1aj8 h TRP 246 CO -0.18 -0.08 0.39 0.35 -2.79 0.00 0.00 178.44 176.13 1aj8 h PHE 247 N 0.15 0.67 0.09 2.65 3.57 0.47 -0.32 116.94 124.22 1aj8 h PHE 247 Ca 0.25 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.53 1aj8 h PHE 247 Cb 0.36 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1aj8 h PHE 247 CO -0.28 0.15 -1.15 0.74 -2.23 0.00 0.00 178.31 175.53 1aj8 h PHE 248 N 0.56 0.37 -0.43 0.41 0.04 -0.93 -1.72 116.94 115.24 1aj8 h PHE 248 Ca 0.44 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 1aj8 h PHE 248 Cb 0.62 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1aj8 h PHE 248 CO -0.12 1.19 0.13 -0.22 -0.60 0.00 0.00 178.31 178.69 1aj8 h LYS 249 N 0.07 0.63 0.01 1.51 3.11 -0.87 -0.03 116.57 121.00 1aj8 h LYS 249 Ca -0.10 -0.10 -0.00 0.00 -2.81 0.00 0.00 60.65 57.64 1aj8 h LYS 249 Cb 1.88 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 33.00 1aj8 h LYS 249 CO 0.18 0.56 -0.01 0.00 -2.81 0.00 0.00 179.45 177.38 1aj8 h ALA 250 N 1.52 -0.02 -0.96 5.00 0.00 -0.99 -0.22 119.26 123.59 1aj8 h ALA 250 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1aj8 h ALA 250 Cb 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1aj8 h ALA 250 CO -0.01 -0.30 0.63 -0.07 0.00 0.00 0.00 179.25 179.50 1aj8 h LEU 251 N -0.44 1.07 -0.60 0.00 3.38 -0.97 -0.36 115.31 117.38 1aj8 h LEU 251 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1aj8 h LEU 251 Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1aj8 h LEU 251 CO 0.00 0.75 -0.55 -0.61 0.09 0.00 0.00 178.44 178.13 1aj8 h GLN 252 N 1.25 0.43 -0.00 1.13 -0.00 -0.97 -2.65 115.11 114.30 1aj8 h GLN 252 Ca 0.37 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1aj8 h GLN 252 Cb -0.06 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1aj8 h GLN 252 CO -0.10 0.87 0.00 1.04 0.00 0.00 0.00 178.83 180.64 1aj8 n GLN 253 N -3.94 1.01 -2.96 1.69 6.02 -0.10 -4.87 117.38 114.23 1aj8 n GLN 253 Ca -0.03 -0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.73 1aj8 n GLN 253 Cb 0.59 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 30.44 1aj8 n GLN 253 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1aj8 n LYS 254 N -0.92 -4.18 -3.29 -1.09 5.02 -0.57 -4.96 118.16 108.18 1aj8 n LYS 254 Ca 0.21 0.86 -0.39 0.00 -2.02 0.00 0.00 58.31 56.97 1aj8 n LYS 254 Cb 0.10 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.39 1aj8 n LYS 254 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1aj8 s ARG 255 N -5.63 4.21 0.25 1.97 3.52 -0.25 -5.03 118.95 117.98 1aj8 s ARG 255 Ca 0.26 0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 56.23 1aj8 s ARG 255 Cb -0.12 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1aj8 s ARG 255 CO 0.33 0.53 0.98 0.15 -0.81 0.00 0.00 175.30 176.47 1aj8 s LYS 256 N -0.69 4.79 -0.37 5.12 -0.14 -1.26 -4.51 119.74 122.67 1aj8 s LYS 256 Ca 0.29 1.57 -0.24 0.00 -1.36 0.00 0.00 55.97 56.22 1aj8 s LYS 256 Cb -0.18 -3.24 0.01 0.00 -1.68 0.00 0.00 37.83 32.74 1aj8 s LYS 256 CO 0.17 0.43 0.84 0.42 -0.76 0.00 0.00 175.35 176.45 1aj8 s ILE 257 N -1.19 4.67 0.15 2.17 1.01 -1.26 -5.00 121.20 121.74 1aj8 s ILE 257 Ca 0.42 0.97 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 1aj8 s ILE 257 Cb -0.27 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 1aj8 s ILE 257 CO 0.34 -0.50 1.37 -0.04 0.00 0.00 0.00 174.94 176.12 1aj8 s MET 258 N 3.27 4.33 0.00 2.79 -1.94 -1.26 -2.40 119.30 124.09 1aj8 s MET 258 Ca 0.34 2.09 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 1aj8 s MET 258 Cb -0.13 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.50 1aj8 s MET 258 CO 0.18 -0.39 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 1aj8 n GLY 259 N 3.07 0.40 3.34 -0.03 0.00 -1.26 -4.65 105.19 106.06 1aj8 n GLY 259 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1aj8 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj8 s ALA 260 N -2.08 2.16 0.00 4.61 0.00 -1.01 0.31 121.76 125.75 1aj8 s ALA 260 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1aj8 s ALA 260 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1aj8 s ALA 260 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1aj8 n GLY 261 N 1.23 0.66 3.63 0.00 0.00 0.19 -4.83 105.19 106.07 1aj8 n GLY 261 Ca -0.18 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1aj8 n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aj8 s HIS 262 N -2.77 -0.44 0.29 1.61 2.46 -1.26 -4.58 115.29 110.60 1aj8 s HIS 262 Ca 0.00 1.03 -0.01 0.00 0.47 0.00 0.00 55.06 56.56 1aj8 s HIS 262 Cb 0.00 0.38 0.44 0.00 -0.13 0.00 0.00 32.58 33.27 1aj8 s HIS 262 CO 0.00 -0.23 1.87 -0.09 -2.47 0.00 0.00 174.74 173.82 1aj8 h ARG 263 N 3.92 0.86 0.00 2.88 9.65 -1.99 -3.37 114.38 126.33 1aj8 h ARG 263 Ca -0.27 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 1aj8 h ARG 263 Cb 1.18 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1aj8 h ARG 263 CO 0.14 0.72 -1.02 0.28 2.80 0.00 0.00 179.97 182.89 1aj8 n VAL 264 N -4.32 1.49 -1.78 0.20 0.31 -1.26 -4.93 118.33 108.04 1aj8 n VAL 264 Ca 0.05 0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 1aj8 n VAL 264 Cb 0.17 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 30.75 1aj8 n VAL 264 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1aj8 s TYR 265 N -2.80 2.03 -1.64 3.52 2.02 -1.26 -4.48 117.35 114.74 1aj8 s TYR 265 Ca -0.28 -0.01 0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1aj8 s TYR 265 Cb 0.04 -4.12 0.13 0.00 -0.40 0.00 0.00 41.96 37.61 1aj8 s TYR 265 CO 0.41 -4.69 0.96 1.63 -1.57 0.00 0.00 175.55 172.28 1aj8 n LYS 266 N 6.12 1.03 -4.34 -0.62 4.76 -0.50 -4.23 118.16 120.37 1aj8 n LYS 266 Ca 0.18 -1.37 -0.25 0.00 -2.87 0.00 0.00 58.31 54.00 1aj8 n LYS 266 Cb 0.40 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.25 1aj8 n LYS 266 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1aj8 n THR 267 N 0.76 0.00 -1.66 -0.18 5.66 -1.25 -4.55 114.28 113.05 1aj8 n THR 267 Ca 0.08 -2.33 -0.46 0.00 -3.05 0.00 0.00 64.05 58.29 1aj8 n THR 267 Cb 0.35 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 69.93 1aj8 n THR 267 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aj8 n TYR 268 N -0.89 2.20 -1.97 1.09 4.19 -1.26 -4.66 117.16 115.86 1aj8 n TYR 268 Ca -0.05 0.31 -0.42 0.00 3.31 0.00 0.00 57.90 61.05 1aj8 n TYR 268 Cb 0.60 -2.52 -0.03 0.00 0.49 0.00 0.00 39.34 37.88 1aj8 n TYR 268 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1aj8 s ASP 269 N 0.83 6.63 0.46 2.98 -1.08 -0.73 -4.75 116.67 121.01 1aj8 s ASP 269 Ca 0.79 2.49 0.15 0.00 -0.52 0.00 0.00 52.55 55.45 1aj8 s ASP 269 Cb -0.70 -2.57 1.11 0.00 -1.46 0.00 0.00 42.92 39.30 1aj8 s ASP 269 CO 0.39 -0.84 2.03 1.55 0.52 0.00 0.00 175.17 178.83 1aj8 h PRO 270 N 7.73 0.27 -0.08 4.34 0.13 -1.91 -0.71 132.00 141.77 1aj8 h PRO 270 Ca -0.42 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 1aj8 h PRO 270 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1aj8 h PRO 270 CO 0.92 0.18 -0.71 0.00 -0.23 0.00 0.00 178.00 178.16 1aj8 h ARG 271 N 0.28 0.39 -0.23 0.86 3.08 -1.93 -2.97 114.38 113.85 1aj8 h ARG 271 Ca 0.19 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1aj8 h ARG 271 Cb 0.40 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1aj8 h ARG 271 CO -0.04 0.95 -0.19 0.00 -1.07 0.00 0.00 179.97 179.62 1aj8 h ALA 272 N 0.97 1.25 0.15 0.04 0.00 -1.42 -1.18 119.26 119.07 1aj8 h ALA 272 Ca -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1aj8 h ALA 272 Cb 1.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1aj8 h ALA 272 CO 0.12 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.78 1aj8 h ARG 273 N 0.37 -0.21 -0.59 0.00 3.08 -1.22 -0.40 114.38 115.41 1aj8 h ARG 273 Ca 0.06 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1aj8 h ARG 273 Cb 0.55 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1aj8 h ARG 273 CO 0.04 -0.14 0.22 0.82 -1.07 0.00 0.00 179.97 179.83 1aj8 h ILE 274 N -0.22 1.23 -0.83 2.04 2.04 -1.40 -2.84 117.51 117.54 1aj8 h ILE 274 Ca -0.02 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1aj8 h ILE 274 Cb 0.18 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1aj8 h ILE 274 CO 0.02 0.29 0.39 -0.26 0.00 0.00 0.00 178.15 178.60 1aj8 h PHE 275 N 0.83 1.20 -0.69 1.37 0.04 -1.02 -2.47 116.94 116.19 1aj8 h PHE 275 Ca 0.20 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.95 1aj8 h PHE 275 Cb 0.24 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1aj8 h PHE 275 CO 0.01 0.87 0.41 -0.22 -0.60 0.00 0.00 178.31 178.78 1aj8 h LYS 276 N 1.18 0.75 -0.18 1.51 3.64 -0.84 0.23 116.57 122.87 1aj8 h LYS 276 Ca 0.28 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1aj8 h LYS 276 Cb 0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1aj8 h LYS 276 CO -0.03 0.50 -0.05 0.87 -2.27 0.00 0.00 179.45 178.46 1aj8 h LYS 277 N 0.78 -0.01 -0.12 1.90 1.57 -1.23 0.27 116.57 119.72 1aj8 h LYS 277 Ca 0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1aj8 h LYS 277 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1aj8 h LYS 277 CO -0.15 -0.01 -0.35 1.88 -0.57 0.00 0.00 179.45 180.26 1aj8 h TYR 278 N -0.01 0.28 -0.27 -1.35 -1.99 -1.19 -2.05 116.97 110.38 1aj8 h TYR 278 Ca 0.09 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 1aj8 h TYR 278 Cb 0.14 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1aj8 h TYR 278 CO -0.21 0.56 -0.20 0.00 -0.00 0.00 0.00 178.16 178.31 1aj8 h ALA 279 N 1.43 1.15 -0.61 3.88 0.00 0.19 0.27 119.26 125.57 1aj8 h ALA 279 Ca 0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1aj8 h ALA 279 Cb 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1aj8 h ALA 279 CO 0.05 0.54 0.05 1.03 0.00 0.00 0.00 179.25 180.92 1aj8 h SER 280 N 0.45 1.01 0.25 0.00 0.87 0.19 0.36 113.55 116.66 1aj8 h SER 280 Ca 0.07 -0.26 -0.34 0.00 -1.23 0.00 0.00 61.79 60.03 1aj8 h SER 280 Cb 0.60 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1aj8 h SER 280 CO 0.04 1.03 -1.60 0.50 -0.53 0.00 0.00 176.83 176.28 1aj8 h LYS 281 N 0.96 0.47 0.00 2.24 1.63 -1.02 -3.40 116.57 117.46 1aj8 h LYS 281 Ca 0.18 -0.80 0.00 0.00 -0.85 0.00 0.00 60.65 59.18 1aj8 h LYS 281 Cb 0.49 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1aj8 h LYS 281 CO 0.02 1.38 -1.06 1.28 -3.45 0.00 0.00 179.45 177.62 1aj8 n LEU 282 N -3.65 0.35 -4.84 5.20 4.77 0.92 -5.04 117.00 114.70 1aj8 n LEU 282 Ca -0.20 -0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 55.19 1aj8 n LEU 282 Cb 1.09 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.22 1aj8 n LEU 282 CO 0.56 0.09 0.72 -0.83 -1.33 0.00 0.00 177.39 176.60 1aj8 s GLY 283 N -2.83 1.66 0.20 -0.72 0.00 0.12 -4.23 107.32 101.52 1aj8 s GLY 283 Ca 0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 44.72 44.38 1aj8 s GLY 283 CO 0.55 0.27 1.49 -0.35 0.00 0.00 0.00 173.10 175.07 1aj8 s ASP 284 N -3.99 6.64 0.10 1.64 2.15 -1.26 -4.92 116.67 117.02 1aj8 s ASP 284 Ca 0.57 2.61 -0.34 0.00 0.43 0.00 0.00 52.55 55.82 1aj8 s ASP 284 Cb -0.13 -2.61 -0.15 0.00 -0.30 0.00 0.00 42.92 39.74 1aj8 s ASP 284 CO 0.54 -0.75 1.54 0.11 -0.17 0.00 0.00 175.17 176.44 1aj8 h LYS 285 N 6.01 -0.78 0.19 4.34 1.79 -1.94 0.25 116.57 126.42 1aj8 h LYS 285 Ca -0.44 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.09 1aj8 h LYS 285 Cb 1.21 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 32.02 1aj8 h LYS 285 CO 0.85 -0.52 -0.20 -0.22 -1.08 0.00 0.00 179.45 178.28 1aj8 h LYS 286 N -0.81 -0.41 -0.76 3.15 3.64 -1.99 0.69 116.57 120.08 1aj8 h LYS 286 Ca -0.02 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1aj8 h LYS 286 Cb 0.77 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.60 1aj8 h LYS 286 CO -0.22 -0.28 0.35 -0.07 -2.27 0.00 0.00 179.45 176.97 1aj8 h LEU 287 N -0.43 0.41 -0.60 5.20 4.07 -1.95 0.24 115.31 122.26 1aj8 h LEU 287 Ca 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1aj8 h LEU 287 Cb 0.41 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1aj8 h LEU 287 CO -0.06 0.19 0.29 0.15 -1.08 0.00 0.00 178.44 177.93 1aj8 h PHE 288 N 0.54 0.85 -0.10 1.13 3.04 -0.42 0.91 116.94 122.89 1aj8 h PHE 288 Ca 0.40 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.32 1aj8 h PHE 288 Cb 0.54 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1aj8 h PHE 288 CO -0.13 0.64 0.03 0.93 -2.02 0.00 0.00 178.31 177.77 1aj8 h GLU 289 N 0.81 0.08 -0.36 1.11 5.08 0.13 0.25 114.58 121.68 1aj8 h GLU 289 Ca 0.21 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1aj8 h GLU 289 Cb 0.10 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1aj8 h GLU 289 CO -0.03 0.06 0.15 0.82 -1.00 0.00 0.00 179.01 179.01 1aj8 h ILE 290 N 0.09 0.93 -0.54 3.13 2.04 -0.24 -0.82 117.51 122.09 1aj8 h ILE 290 Ca 0.04 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1aj8 h ILE 290 Cb 0.02 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1aj8 h ILE 290 CO -0.04 0.06 0.21 0.00 0.00 0.00 0.00 178.15 178.37 1aj8 h ALA 291 N 1.22 1.34 -0.32 1.87 0.00 -0.38 -2.11 119.26 120.88 1aj8 h ALA 291 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1aj8 h ALA 291 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1aj8 h ALA 291 CO -0.14 0.49 -0.04 0.93 0.00 0.00 0.00 179.25 180.49 1aj8 h GLU 292 N 0.78 0.59 -0.46 0.00 4.39 0.33 0.44 114.58 120.64 1aj8 h GLU 292 Ca 0.19 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1aj8 h GLU 292 Cb 0.17 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1aj8 h GLU 292 CO -0.02 0.74 0.22 0.00 -1.16 0.00 0.00 179.01 178.79 1aj8 h ARG 293 N 0.37 0.67 -0.61 2.33 2.47 -0.98 -1.58 114.38 117.06 1aj8 h ARG 293 Ca 0.09 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1aj8 h ARG 293 Cb 0.50 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1aj8 h ARG 293 CO 0.02 0.57 0.18 1.25 0.56 0.00 0.00 179.97 182.56 1aj8 h LEU 294 N 0.60 0.85 -1.24 3.04 5.85 -1.30 -1.75 115.31 121.36 1aj8 h LEU 294 Ca 0.16 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1aj8 h LEU 294 Cb 0.13 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1aj8 h LEU 294 CO -0.02 0.81 0.30 -0.08 -0.34 0.00 0.00 178.44 179.11 1aj8 h GLU 295 N 0.89 0.82 -0.32 1.25 4.81 -0.39 -1.79 114.58 119.85 1aj8 h GLU 295 Ca 0.20 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1aj8 h GLU 295 Cb 0.27 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1aj8 h GLU 295 CO -0.01 0.62 -0.38 0.00 -0.73 0.00 0.00 179.01 178.52 1aj8 h ARG 296 N 0.83 0.82 -0.16 1.92 3.08 -0.56 -1.53 114.38 118.78 1aj8 h ARG 296 Ca 0.21 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1aj8 h ARG 296 Cb 0.06 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1aj8 h ARG 296 CO -0.03 1.09 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.81 1aj8 h LEU 297 N 0.59 0.22 -0.04 3.04 3.38 -0.92 -0.57 115.31 121.01 1aj8 h LEU 297 Ca 0.04 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1aj8 h LEU 297 Cb 0.97 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1aj8 h LEU 297 CO 0.09 0.34 -0.28 0.58 0.09 0.00 0.00 178.44 179.26 1aj8 h VAL 298 N 0.23 1.47 0.00 1.22 2.07 -1.18 -0.12 116.25 119.93 1aj8 h VAL 298 Ca 0.05 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1aj8 h VAL 298 Cb 0.30 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1aj8 h VAL 298 CO 0.01 0.50 0.00 -0.33 0.02 0.00 0.00 177.57 177.77 1aj8 h GLU 299 N -0.30 0.00 0.00 1.57 5.08 -0.99 0.15 114.58 120.08 1aj8 h GLU 299 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1aj8 h GLU 299 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1aj8 h GLU 299 CO 0.06 0.00 -0.40 0.93 -1.00 0.00 0.00 179.01 178.60 1aj8 h GLU 300 N 0.00 0.00 0.10 2.33 5.08 -0.96 -3.36 114.58 117.77 1aj8 h GLU 300 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1aj8 h GLU 300 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1aj8 h GLU 300 CO 0.00 0.10 -1.76 1.88 -1.00 0.00 0.00 179.01 178.23 1aj8 h TYR 301 N -1.00 0.37 0.00 4.33 -1.99 -0.98 -3.40 116.97 114.29 1aj8 h TYR 301 Ca -0.02 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1aj8 h TYR 301 Cb 0.43 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1aj8 h TYR 301 CO -0.12 1.45 -1.56 1.28 -0.00 0.00 0.00 178.16 179.22 1aj8 n LEU 302 N -3.37 0.36 -0.27 3.88 4.77 0.34 -4.51 117.00 118.20 1aj8 n LEU 302 Ca -0.23 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1aj8 n LEU 302 Cb 1.05 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 42.18 1aj8 n LEU 302 CO 0.46 -0.03 0.67 -1.28 -1.33 0.00 0.00 177.39 175.89 1aj8 h SER 303 N 0.00 -0.93 -0.42 -1.43 0.87 -1.12 0.23 113.55 110.75 1aj8 h SER 303 Ca 0.00 0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1aj8 h SER 303 Cb 0.93 0.54 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 1aj8 h SER 303 CO 0.00 -0.28 0.29 0.11 -0.53 0.00 0.00 176.83 176.42 1aj8 h LYS 304 N -0.04 0.31 0.00 2.24 1.57 -1.85 -1.29 116.57 117.50 1aj8 h LYS 304 Ca 0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1aj8 h LYS 304 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1aj8 h LYS 304 CO -0.80 0.20 0.00 1.17 -0.57 0.00 0.00 179.45 179.45 1aj8 n LYS 305 N -4.47 0.90 -0.80 3.15 4.81 0.05 -4.84 118.16 116.97 1aj8 n LYS 305 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1aj8 n LYS 305 Cb 0.26 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1aj8 n LYS 305 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aj8 n GLY 306 N 0.66 0.78 3.51 3.14 0.00 -0.49 -5.00 105.19 107.79 1aj8 n GLY 306 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1aj8 n GLY 306 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aj8 s ILE 307 N -2.95 4.64 0.00 -0.61 1.01 -1.11 -4.38 121.20 117.79 1aj8 s ILE 307 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1aj8 s ILE 307 Cb 0.00 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1aj8 s ILE 307 CO 0.00 -0.86 0.00 -0.24 0.00 0.00 0.00 174.94 173.84 1aj8 n SER 308 N 6.77 1.83 -4.75 3.58 2.88 -1.26 -3.44 113.62 119.23 1aj8 n SER 308 Ca -0.01 -0.55 -0.39 0.00 -1.33 0.00 0.00 58.87 56.59 1aj8 n SER 308 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1aj8 n SER 308 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1aj8 s ILE 309 N -0.23 4.91 0.44 2.46 -1.09 -1.26 0.52 121.20 126.96 1aj8 s ILE 309 Ca 0.00 1.33 0.07 0.00 -2.23 0.00 0.00 60.65 59.82 1aj8 s ILE 309 Cb 0.00 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1aj8 s ILE 309 CO 0.00 0.38 0.29 0.54 -1.23 0.00 0.00 174.94 174.91 1aj8 s ASN 310 N 0.05 4.67 0.59 3.58 2.20 0.15 -1.78 114.94 124.40 1aj8 s ASN 310 Ca 0.33 -1.01 0.29 0.00 -0.94 0.00 0.00 52.86 51.54 1aj8 s ASN 310 Cb -0.18 -0.32 1.37 0.00 -2.00 0.00 0.00 41.25 40.12 1aj8 s ASN 310 CO 0.18 -0.70 1.75 1.62 -2.94 0.00 0.00 177.10 177.02 1aj8 h VAL 311 N 1.15 0.28 -0.01 3.54 3.04 -1.90 -1.63 116.25 120.72 1aj8 h VAL 311 Ca -0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1aj8 h VAL 311 Cb 1.27 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1aj8 h VAL 311 CO 0.63 0.00 -0.03 0.47 -1.01 0.00 0.00 177.57 177.63 1aj8 n ASP 312 N -3.64 1.25 -0.04 3.17 8.00 -1.26 -4.12 116.55 119.92 1aj8 n ASP 312 Ca 0.13 -1.35 -0.14 0.00 0.71 0.00 0.00 54.79 54.14 1aj8 n ASP 312 Cb 0.92 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.94 1aj8 n ASP 312 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1aj8 h TYR 313 N 1.92 0.39 0.00 1.24 3.20 -1.45 -3.38 116.97 118.89 1aj8 h TYR 313 Ca 0.00 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1aj8 h TYR 313 Cb 0.44 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1aj8 h TYR 313 CO 0.00 0.86 -1.95 0.91 -1.64 0.00 0.00 178.16 176.34 1aj8 n TRP 314 N -4.50 0.00 -0.35 -3.82 7.02 -1.26 -4.60 117.44 109.93 1aj8 n TRP 314 Ca -0.08 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.43 1aj8 n TRP 314 Cb 0.45 -0.50 0.17 0.00 -2.42 0.00 0.00 31.31 29.01 1aj8 n TRP 314 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1aj8 h SER 315 N 0.00 0.96 -0.54 -0.99 4.64 -1.77 -2.49 113.55 113.36 1aj8 h SER 315 Ca -0.05 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.39 1aj8 h SER 315 Cb 1.04 -0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 62.85 1aj8 h SER 315 CO 0.00 0.60 0.02 1.23 -0.87 0.00 0.00 176.83 177.81 1aj8 h GLY 316 N 1.09 0.58 1.14 -0.77 0.00 -1.80 -0.46 103.07 102.86 1aj8 h GLY 316 Ca 0.42 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.85 1aj8 h GLY 316 CO -0.18 -0.15 0.46 1.41 0.00 0.00 0.00 176.54 178.08 1aj8 h LEU 317 N 0.13 0.69 -0.29 3.11 3.38 -1.75 0.14 115.31 120.73 1aj8 h LEU 317 Ca 0.28 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1aj8 h LEU 317 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1aj8 h LEU 317 CO -0.44 0.46 -0.09 0.58 0.09 0.00 0.00 178.44 179.04 1aj8 h VAL 318 N 0.79 1.29 -0.53 1.22 2.07 -1.09 -1.49 116.25 118.52 1aj8 h VAL 318 Ca 0.29 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1aj8 h VAL 318 Cb 0.15 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1aj8 h VAL 318 CO -0.09 0.37 -0.08 -0.26 0.02 0.00 0.00 177.57 177.53 1aj8 h PHE 319 N 0.33 1.06 -0.89 1.57 0.04 -0.55 -2.68 116.94 115.82 1aj8 h PHE 319 Ca 0.07 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 1aj8 h PHE 319 Cb 0.59 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1aj8 h PHE 319 CO 0.05 0.98 0.54 -0.92 -0.60 0.00 0.00 178.31 178.37 1aj8 h TYR 320 N 0.86 1.16 0.00 -0.55 3.20 -0.63 -1.48 116.97 119.53 1aj8 h TYR 320 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1aj8 h TYR 320 Cb 0.62 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1aj8 h TYR 320 CO 0.04 0.77 0.00 0.78 -1.64 0.00 0.00 178.16 178.11 1aj8 h GLY 321 N 1.23 0.00 -3.63 1.82 0.00 -0.93 -2.21 103.07 99.34 1aj8 h GLY 321 Ca 0.32 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 1aj8 h GLY 321 CO -0.06 0.00 0.23 1.03 0.00 0.00 0.00 176.54 177.74 1aj8 n MET 322 N -3.03 3.89 -3.69 4.80 2.81 -0.60 -4.93 117.12 116.36 1aj8 n MET 322 Ca -0.00 -3.11 -0.21 0.00 -1.81 0.00 0.00 57.70 52.56 1aj8 n MET 322 Cb 0.23 -2.22 0.03 0.00 -0.71 0.00 0.00 33.22 30.55 1aj8 n MET 322 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1aj8 n LYS 323 N -0.06 -5.00 -4.33 0.03 4.76 -0.83 -5.00 118.16 107.74 1aj8 n LYS 323 Ca 0.39 0.63 -0.34 0.00 -2.87 0.00 0.00 58.31 56.12 1aj8 n LYS 323 Cb 1.36 -5.21 -0.14 0.00 -1.84 0.00 0.00 35.03 29.20 1aj8 n LYS 323 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1aj8 s ILE 324 N -3.65 3.29 0.26 -0.18 1.01 -0.95 -5.01 121.20 115.97 1aj8 s ILE 324 Ca 0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 1aj8 s ILE 324 Cb -0.01 -2.44 -0.13 0.00 0.01 0.00 0.00 42.46 39.90 1aj8 s ILE 324 CO 0.81 0.48 1.51 -2.65 0.00 0.00 0.00 174.94 175.08 1aj8 n PRO 325 N 4.09 2.37 -0.20 2.79 -0.02 -1.26 -4.35 135.00 138.42 1aj8 n PRO 325 Ca -0.18 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1aj8 n PRO 325 Cb 0.52 -2.56 0.50 0.00 -0.02 0.00 0.00 33.50 31.93 1aj8 n PRO 325 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1aj8 h ILE 326 N 3.21 0.75 0.00 4.25 2.04 -1.97 -1.06 117.51 124.74 1aj8 h ILE 326 Ca -0.46 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1aj8 h ILE 326 Cb 1.25 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1aj8 h ILE 326 CO 0.78 0.08 0.03 -1.84 0.00 0.00 0.00 178.15 177.20 1aj8 n GLU 327 N -4.50 0.11 -0.01 2.37 0.28 -1.26 -1.72 120.64 115.91 1aj8 n GLU 327 Ca 0.16 0.60 0.10 0.00 -0.16 0.00 0.00 57.16 57.87 1aj8 n GLU 327 Cb 0.59 -1.89 0.10 0.00 1.43 0.00 0.00 31.44 31.67 1aj8 n GLU 327 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1aj8 n LEU 328 N -2.09 2.79 -0.21 -1.84 4.77 -0.40 -4.51 117.00 115.51 1aj8 n LEU 328 Ca -0.01 -1.04 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 1aj8 n LEU 328 Cb 0.06 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1aj8 n LEU 328 CO 0.07 0.49 1.04 1.88 -1.33 0.00 0.00 177.39 179.54 1aj8 h TYR 329 N 4.11 0.81 -0.41 -1.77 0.05 -1.47 -2.07 116.97 116.22 1aj8 h TYR 329 Ca 0.00 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1aj8 h TYR 329 Cb 0.88 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 1aj8 h TYR 329 CO 0.02 0.60 -0.08 1.15 -1.05 0.00 0.00 178.16 178.80 1aj8 h THR 330 N 0.79 1.25 0.00 -2.88 2.02 -1.82 -1.87 112.91 110.39 1aj8 h THR 330 Ca 0.20 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1aj8 h THR 330 Cb 0.07 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1aj8 h THR 330 CO -0.03 0.37 -0.12 0.71 0.37 0.00 0.00 175.52 176.82 1aj8 h THR 331 N 0.66 0.47 0.02 3.16 1.35 -1.79 -0.47 112.91 116.31 1aj8 h THR 331 Ca 0.12 -0.60 -0.24 0.00 -0.55 0.00 0.00 66.41 65.14 1aj8 h THR 331 Cb 0.52 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1aj8 h THR 331 CO 0.03 0.12 -1.00 0.40 -0.25 0.00 0.00 175.52 174.82 1aj8 h ILE 332 N 0.00 1.38 -0.16 6.82 2.04 -0.65 0.32 117.51 127.25 1aj8 h ILE 332 Ca -0.00 -2.46 0.01 0.00 1.00 0.00 0.00 64.86 63.41 1aj8 h ILE 332 Cb 0.40 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1aj8 h ILE 332 CO 0.02 0.74 0.09 0.15 0.00 0.00 0.00 178.15 179.14 1aj8 h PHE 333 N 0.25 0.17 -1.01 1.37 3.04 -0.70 -1.63 116.94 118.43 1aj8 h PHE 333 Ca -0.10 0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.91 1aj8 h PHE 333 Cb 1.64 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 40.04 1aj8 h PHE 333 CO 0.07 0.10 0.66 0.00 -2.02 0.00 0.00 178.31 177.12 1aj8 h ALA 334 N 1.08 1.36 -0.76 2.41 0.00 -0.95 0.24 119.26 122.64 1aj8 h ALA 334 Ca 0.06 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1aj8 h ALA 334 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 1aj8 h ALA 334 CO -0.03 0.51 0.50 0.52 0.00 0.00 0.00 179.25 180.75 1aj8 h MET 335 N 1.24 0.66 0.03 0.00 2.86 -0.01 -2.06 114.93 117.64 1aj8 h MET 335 Ca 0.42 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.78 1aj8 h MET 335 Cb 0.07 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1aj8 h MET 335 CO -0.15 0.43 -1.29 0.78 1.06 0.00 0.00 176.91 177.75 1aj8 h GLY 336 N 0.68 0.08 2.00 8.32 0.00 -0.59 -3.38 103.07 110.17 1aj8 h GLY 336 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1aj8 h GLY 336 CO -0.13 0.17 0.00 -0.09 0.00 0.00 0.00 176.54 176.49 1aj8 h ARG 337 N -0.77 0.00 -0.11 4.80 9.65 -0.43 -2.19 114.38 125.34 1aj8 h ARG 337 Ca -0.33 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.58 1aj8 h ARG 337 Cb 1.44 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1aj8 h ARG 337 CO -0.12 0.00 0.09 0.97 2.80 0.00 0.00 179.97 183.71 1aj8 h ILE 338 N 0.00 0.71 -0.25 1.20 6.09 -1.56 -0.47 117.51 123.23 1aj8 h ILE 338 Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 1aj8 h ILE 338 Cb 0.04 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 1aj8 h ILE 338 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1aj8 h ALA 339 N 1.91 0.34 -0.25 0.18 0.00 -1.58 -1.20 119.26 118.66 1aj8 h ALA 339 Ca 0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1aj8 h ALA 339 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1aj8 h ALA 339 CO -0.00 0.07 -0.42 0.78 0.00 0.00 0.00 179.25 179.68 1aj8 h GLY 340 N 0.22 0.66 0.93 0.00 0.00 0.06 -1.38 103.07 103.56 1aj8 h GLY 340 Ca 0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1aj8 h GLY 340 CO 0.01 0.61 0.10 1.49 0.00 0.00 0.00 176.54 178.75 1aj8 h TRP 341 N 0.49 0.29 -0.63 5.60 6.55 -1.04 -1.15 115.95 126.07 1aj8 h TRP 341 Ca 0.04 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1aj8 h TRP 341 Cb 0.94 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 29.12 1aj8 h TRP 341 CO 0.04 0.28 0.30 1.15 -1.05 0.00 0.00 178.44 179.16 1aj8 h THR 342 N 0.21 1.22 -0.25 1.49 2.02 -1.13 -1.06 112.91 115.40 1aj8 h THR 342 Ca 0.07 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1aj8 h THR 342 Cb 0.09 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1aj8 h THR 342 CO -0.01 0.25 0.13 0.00 0.37 0.00 0.00 175.52 176.26 1aj8 h ALA 343 N 1.13 0.32 -0.28 6.16 0.00 -1.00 -1.96 119.26 123.63 1aj8 h ALA 343 Ca 0.22 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1aj8 h ALA 343 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aj8 h ALA 343 CO -0.03 -0.13 -0.30 0.45 0.00 0.00 0.00 179.25 179.24 1aj8 h HIS 344 N 0.29 0.66 0.02 0.00 -0.00 -1.08 -1.16 115.15 113.88 1aj8 h HIS 344 Ca 0.09 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1aj8 h HIS 344 Cb 0.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1aj8 h HIS 344 CO -0.03 0.81 -0.02 1.25 -0.00 0.00 0.00 177.93 179.94 1aj8 h LEU 345 N 0.49 -0.04 -0.54 2.43 5.85 -1.03 0.13 115.31 122.60 1aj8 h LEU 345 Ca 0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1aj8 h LEU 345 Cb 0.76 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1aj8 h LEU 345 CO 0.06 -0.03 0.16 0.00 -0.34 0.00 0.00 178.44 178.30 1aj8 h ALA 346 N 0.93 0.71 -0.23 1.25 0.00 -1.23 -2.46 119.26 118.23 1aj8 h ALA 346 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1aj8 h ALA 346 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1aj8 h ALA 346 CO -0.00 0.38 -0.12 1.49 0.00 0.00 0.00 179.25 181.00 1aj8 h GLU 347 N 0.75 0.49 -0.13 0.00 4.81 -1.02 -3.07 114.58 116.42 1aj8 h GLU 347 Ca 0.17 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1aj8 h GLU 347 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1aj8 h GLU 347 CO -0.00 0.77 0.03 -0.92 -0.73 0.00 0.00 179.01 178.15 1aj8 h TYR 348 N 0.21 0.22 0.00 0.92 3.20 -0.72 -2.88 116.97 117.93 1aj8 h TYR 348 Ca 0.05 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1aj8 h TYR 348 Cb 0.62 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1aj8 h TYR 348 CO 0.06 0.37 0.00 1.33 -1.64 0.00 0.00 178.16 178.29 1aj8 n VAL 349 N -4.84 0.45 0.48 1.81 0.24 -0.93 -2.00 118.33 113.54 1aj8 n VAL 349 Ca -0.05 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1aj8 n VAL 349 Cb 0.16 -0.84 0.46 0.00 -1.47 0.00 0.00 33.84 32.16 1aj8 n VAL 349 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1aj8 n SER 350 N -1.25 0.76 -2.80 -1.34 3.41 -1.08 -3.30 113.62 108.01 1aj8 n SER 350 Ca 0.08 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1aj8 n SER 350 Cb 0.12 -0.82 0.06 0.00 -0.26 0.00 0.00 64.21 63.31 1aj8 n SER 350 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aj8 n HIS 351 N -2.29 -0.96 -1.69 7.33 8.25 -0.85 -5.10 115.22 119.92 1aj8 n HIS 351 Ca 0.03 -2.62 -0.39 0.00 -0.26 0.00 0.00 57.72 54.48 1aj8 n HIS 351 Cb 0.31 0.61 0.04 0.00 1.12 0.00 0.00 29.99 32.07 1aj8 n HIS 351 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1aj8 n ASN 352 N -0.05 1.99 -3.66 0.41 5.15 -1.03 -5.01 115.26 113.07 1aj8 n ASN 352 Ca 0.08 0.96 -0.05 0.00 -0.60 0.00 0.00 54.58 54.97 1aj8 n ASN 352 Cb 0.77 -1.49 -0.07 0.00 -0.53 0.00 0.00 39.78 38.46 1aj8 n ASN 352 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1aj8 s ARG 353 N -2.64 0.51 0.30 1.20 3.52 -1.26 -5.07 118.95 115.52 1aj8 s ARG 353 Ca 0.70 1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 57.23 1aj8 s ARG 353 Cb -0.45 0.49 -0.12 0.00 -1.56 0.00 0.00 34.95 33.30 1aj8 s ARG 353 CO 0.51 -0.20 1.42 1.51 -0.81 0.00 0.00 175.30 177.73 1aj8 n ILE 354 N 5.08 1.41 -3.09 4.11 3.06 -1.25 -4.86 119.36 123.83 1aj8 n ILE 354 Ca -0.14 -0.35 -0.43 0.00 -2.50 0.00 0.00 62.75 59.33 1aj8 n ILE 354 Cb 0.52 -1.67 -0.07 0.00 0.54 0.00 0.00 39.64 38.96 1aj8 n ILE 354 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1aj8 s ILE 355 N -0.49 4.80 -0.30 9.51 1.01 -1.26 -4.97 121.20 129.50 1aj8 s ILE 355 Ca 0.62 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1aj8 s ILE 355 Cb -0.57 -4.23 0.16 0.00 0.01 0.00 0.00 42.46 37.83 1aj8 s ILE 355 CO 0.55 -0.63 0.41 -0.60 0.00 0.00 0.00 174.94 174.67 1aj8 s ARG 356 N 2.89 0.44 0.00 2.79 6.06 -1.26 -5.03 118.95 124.84 1aj8 s ARG 356 Ca 0.23 0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.52 1aj8 s ARG 356 Cb -0.14 -0.31 0.00 0.00 0.06 0.00 0.00 34.95 34.56 1aj8 s ARG 356 CO 0.19 -1.05 0.00 -0.35 -2.50 0.00 0.00 175.30 171.59 1aj8 n PRO 357 N 5.26 2.20 -4.37 5.12 -0.04 -1.26 -5.14 135.00 136.77 1aj8 n PRO 357 Ca 0.02 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1aj8 n PRO 357 Cb 0.49 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 1aj8 n PRO 357 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aj8 s ARG 358 N 1.23 1.63 0.04 0.54 1.81 -1.26 -5.17 118.95 117.77 1aj8 s ARG 358 Ca 0.00 -1.93 0.04 0.00 -1.72 0.00 0.00 55.73 52.12 1aj8 s ARG 358 Cb 0.00 -0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.25 1aj8 s ARG 358 CO 0.00 -0.42 -0.12 -0.51 -0.68 0.00 0.00 175.30 173.57 1aj8 s LEU 359 N -3.41 2.17 -0.59 2.53 1.43 -1.26 -5.10 118.68 114.45 1aj8 s LEU 359 Ca 0.34 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 1aj8 s LEU 359 Cb 0.05 -0.49 0.05 0.00 0.03 0.00 0.00 46.19 45.83 1aj8 s LEU 359 CO 0.17 -0.00 0.92 -1.58 0.23 0.00 0.00 176.35 176.08 1aj8 s GLN 360 N -1.11 3.23 0.11 1.70 0.74 -1.26 -5.01 119.66 118.06 1aj8 s GLN 360 Ca -0.00 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.56 1aj8 s GLN 360 Cb -0.08 -4.12 -0.07 0.00 1.10 0.00 0.00 33.01 29.84 1aj8 s GLN 360 CO 0.01 -1.58 1.26 -0.47 -0.55 0.00 0.00 175.29 173.96 1aj8 s TYR 361 N 3.85 3.37 -0.31 1.67 5.04 -1.26 -4.92 117.35 124.80 1aj8 s TYR 361 Ca 0.26 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 56.15 1aj8 s TYR 361 Cb -0.15 -3.50 0.09 0.00 0.35 0.00 0.00 41.96 38.74 1aj8 s TYR 361 CO 0.15 -1.59 1.01 1.33 -1.34 0.00 0.00 175.55 175.11 1aj8 n VAL 362 N 3.56 0.86 -2.97 3.14 0.24 -1.26 -5.04 118.33 116.86 1aj8 n VAL 362 Ca 0.08 -0.93 -0.09 0.00 -2.04 0.00 0.00 64.34 61.37 1aj8 n VAL 362 Cb 0.45 0.58 0.03 0.00 -1.47 0.00 0.00 33.84 33.43 1aj8 n VAL 362 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aj8 n GLY 363 N -0.13 1.84 3.98 7.63 0.00 -1.26 -5.12 105.19 112.13 1aj8 n GLY 363 Ca 0.03 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1aj8 n GLY 363 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aj8 s GLU 364 N -3.22 3.20 0.27 1.61 -1.05 -1.26 -5.12 118.70 113.12 1aj8 s GLU 364 Ca 0.28 -0.89 0.04 0.00 -0.15 0.00 0.00 54.97 54.24 1aj8 s GLU 364 Cb -0.02 -2.81 -0.06 0.00 -0.44 0.00 0.00 34.13 30.80 1aj8 s GLU 364 CO 0.18 0.12 0.01 0.96 0.95 0.00 0.00 175.26 177.48 1aj8 s ILE 365 N -2.16 1.13 0.00 1.83 -4.36 -1.26 -4.81 121.20 111.56 1aj8 s ILE 365 Ca 0.43 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1aj8 s ILE 365 Cb -0.09 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1aj8 s ILE 365 CO 0.31 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1aj8 n GLY 366 N -0.52 0.63 3.77 6.27 0.00 -1.26 -5.02 105.19 109.06 1aj8 n GLY 366 Ca -0.04 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1aj8 n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj8 s LYS 367 N -0.51 3.92 -0.21 1.61 1.02 -1.26 -4.97 119.74 119.33 1aj8 s LYS 367 Ca 0.00 2.39 -0.12 0.00 0.02 0.00 0.00 55.97 58.26 1aj8 s LYS 367 Cb 0.00 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1aj8 s LYS 367 CO 0.00 -0.61 0.22 0.15 -0.92 0.00 0.00 175.35 174.18 1aj8 s LYS 368 N -2.25 4.15 0.13 1.68 -0.14 -1.26 -5.05 119.74 117.00 1aj8 s LYS 368 Ca 0.57 -0.12 -0.32 0.00 -1.36 0.00 0.00 55.97 54.74 1aj8 s LYS 368 Cb -0.43 -3.49 -0.11 0.00 -1.68 0.00 0.00 37.83 32.12 1aj8 s LYS 368 CO 0.56 0.12 1.81 0.98 -0.76 0.00 0.00 175.35 178.07 1aj8 n TYR 369 N 4.04 2.62 -4.19 3.18 4.19 -1.26 -4.99 117.16 120.75 1aj8 n TYR 369 Ca -0.14 -0.10 -0.34 0.00 3.31 0.00 0.00 57.90 60.63 1aj8 n TYR 369 Cb 0.52 -2.71 -0.12 0.00 0.49 0.00 0.00 39.34 37.51 1aj8 n TYR 369 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1aj8 s LEU 370 N 2.48 3.29 0.22 2.98 2.96 -1.26 -5.07 118.68 124.28 1aj8 s LEU 370 Ca 0.81 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 54.26 1aj8 s LEU 370 Cb -0.50 -1.82 -0.15 0.00 0.50 0.00 0.00 46.19 44.22 1aj8 s LEU 370 CO 0.37 0.11 1.05 -2.65 -1.32 0.00 0.00 176.35 173.91 1aj8 n PRO 371 N 3.94 1.15 -0.27 0.98 -0.02 -1.26 -4.82 135.00 134.70 1aj8 n PRO 371 Ca -0.17 0.41 0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1aj8 n PRO 371 Cb 0.52 -1.81 0.49 0.00 -0.02 0.00 0.00 33.50 32.68 1aj8 n PRO 371 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1aj8 h ILE 372 N 2.25 0.65 0.00 4.25 2.10 -2.01 0.58 117.51 125.34 1aj8 h ILE 372 Ca -0.40 -0.15 -0.07 0.00 1.08 0.00 0.00 64.86 65.31 1aj8 h ILE 372 Cb 1.35 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 1aj8 h ILE 372 CO 0.65 0.08 -0.35 1.05 -1.08 0.00 0.00 178.15 178.50 1aj8 h GLU 373 N 0.45 0.00 -0.02 2.19 9.09 -2.06 -2.24 114.58 121.99 1aj8 h GLU 373 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1aj8 h GLU 373 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1aj8 h GLU 373 CO -0.22 0.35 0.00 1.28 0.05 0.00 0.00 179.01 180.47 1aj8 n LEU 374 N -3.92 0.53 -0.56 3.06 4.77 0.18 -5.27 117.00 115.78 1aj8 n LEU 374 Ca -0.02 -0.19 0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1aj8 n LEU 374 Cb 0.41 -0.01 0.45 0.00 -2.33 0.00 0.00 43.42 41.94 1aj8 n LEU 374 CO 0.37 0.09 0.83 0.54 -1.33 0.00 0.00 177.39 177.89