#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n ASN 3 N 0.00 0.00 -3.53 4.04 3.02 -1.26 -5.00 115.26 112.53 1i50 n ASN 3 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1i50 n ASN 3 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1i50 n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i50 s THR 4 N -2.00 0.00 0.00 3.41 2.01 -1.26 -4.26 115.64 113.54 1i50 s THR 4 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1i50 s THR 4 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1i50 s THR 4 CO 0.00 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.11 1i50 n LEU 5 N 0.54 0.00 -3.80 4.42 4.77 -1.26 -4.73 117.00 116.93 1i50 n LEU 5 Ca -0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1i50 n LEU 5 Cb 0.59 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 1i50 n LEU 5 CO 0.18 0.00 -0.05 0.12 -1.33 0.00 0.00 177.39 176.31 1i50 s PHE 6 N -0.98 -0.05 -0.17 -1.77 5.36 -1.26 -4.54 117.98 114.58 1i50 s PHE 6 Ca 0.00 -0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 55.66 1i50 s PHE 6 Cb 0.00 0.03 0.06 0.00 -0.34 0.00 0.00 43.02 42.78 1i50 s PHE 6 CO 0.00 -0.42 0.65 0.34 -1.46 0.00 0.00 175.22 174.34 1i50 s ASP 7 N -1.79 -0.66 0.00 6.13 -1.08 -1.25 -1.88 116.67 116.14 1i50 s ASP 7 Ca -0.09 1.07 0.00 0.00 -0.52 0.00 0.00 52.55 53.02 1i50 s ASP 7 Cb -0.03 1.03 0.00 0.00 -1.46 0.00 0.00 42.92 42.46 1i50 s ASP 7 CO -0.01 -0.37 0.00 -0.67 0.52 0.00 0.00 175.17 174.64 1i50 n ASP 8 N 2.03 0.00 -4.06 -0.34 2.03 -1.15 -5.00 116.55 110.06 1i50 n ASP 8 Ca -0.16 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.94 1i50 n ASP 8 Cb 0.56 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.81 1i50 n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1i50 s ILE 9 N -2.00 0.92 0.27 5.18 1.01 -1.26 -0.50 121.20 124.81 1i50 s ILE 9 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.28 1i50 s ILE 9 Cb 0.00 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1i50 s ILE 9 CO 0.00 0.26 -0.14 -0.36 0.00 0.00 0.00 174.94 174.70 1i50 s PHE 10 N -0.20 2.43 -0.58 3.97 0.40 0.57 -1.70 117.98 122.87 1i50 s PHE 10 Ca 0.03 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 1i50 s PHE 10 Cb -0.05 -1.07 0.15 0.00 0.51 0.00 0.00 43.02 42.56 1i50 s PHE 10 CO -0.00 0.67 0.44 -1.14 0.70 0.00 0.00 175.22 175.89 1i50 s GLN 11 N -3.49 2.66 -0.22 0.44 2.00 0.44 -1.85 119.66 119.65 1i50 s GLN 11 Ca 0.30 -2.16 -0.28 0.00 -2.00 0.00 0.00 55.36 51.21 1i50 s GLN 11 Cb -0.06 -3.91 -0.05 0.00 0.80 0.00 0.00 33.01 29.79 1i50 s GLN 11 CO 0.16 -1.19 2.17 0.08 -0.50 0.00 0.00 175.29 176.01 1i50 s VAL 12 N 0.63 3.06 -1.47 1.34 1.01 -1.03 -0.58 120.40 123.36 1i50 s VAL 12 Ca 0.12 0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.39 1i50 s VAL 12 Cb -0.21 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1i50 s VAL 12 CO -0.03 -0.05 1.13 -1.54 0.00 0.00 0.00 175.10 174.61 1i50 n SER 13 N 11.41 1.30 -3.63 3.32 3.41 -0.81 0.13 113.62 128.75 1i50 n SER 13 Ca 0.29 -1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 57.75 1i50 n SER 13 Cb 0.45 0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1i50 n SER 13 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1i50 s GLU 14 N -2.75 0.47 -0.35 4.33 2.12 -1.22 -4.85 118.70 116.45 1i50 s GLU 14 Ca 0.14 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 55.92 1i50 s GLU 14 Cb 0.17 0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.92 1i50 s GLU 14 CO 0.70 -0.08 0.18 0.08 -0.54 0.00 0.00 175.26 175.60 1i50 s VAL 15 N -0.06 0.57 -0.15 3.70 1.01 -1.26 -2.21 120.40 122.00 1i50 s VAL 15 Ca 0.03 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 1i50 s VAL 15 Cb -0.04 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1i50 s VAL 15 CO -0.06 -0.86 0.33 -0.62 0.00 0.00 0.00 175.10 173.89 1i50 s ASP 16 N 1.18 6.49 0.00 3.32 2.15 -1.01 -4.89 116.67 123.91 1i50 s ASP 16 Ca 0.15 0.58 0.21 0.00 0.43 0.00 0.00 52.55 53.91 1i50 s ASP 16 Cb -0.21 -2.20 -0.20 0.00 -0.30 0.00 0.00 42.92 40.00 1i50 s ASP 16 CO -0.11 0.09 0.91 -0.81 -0.17 0.00 0.00 175.17 175.09 1i50 n PRO 17 N 3.51 0.19 -0.22 4.34 -0.04 -1.26 0.12 135.00 141.65 1i50 n PRO 17 Ca -0.11 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1i50 n PRO 17 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1i50 n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i50 n GLY 18 N 1.49 0.00 2.48 0.55 0.00 -1.26 -0.94 105.19 107.51 1i50 n GLY 18 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1i50 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i50 n ARG 19 N 0.69 -0.49 -3.19 1.61 5.12 -1.26 -4.89 116.66 114.25 1i50 n ARG 19 Ca 0.00 0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.74 1i50 n ARG 19 Cb 0.00 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.06 1i50 n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1i50 s TYR 20 N -0.27 3.18 -0.01 -1.55 1.51 -0.11 -5.03 117.35 115.07 1i50 s TYR 20 Ca 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 1i50 s TYR 20 Cb 0.00 -2.18 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1i50 s TYR 20 CO 0.00 -0.21 0.24 0.09 -1.11 0.00 0.00 175.55 174.56 1i50 n ASN 21 N -1.89 0.48 0.00 2.29 3.02 -1.26 -4.73 115.26 113.17 1i50 n ASN 21 Ca 0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1i50 n ASN 21 Cb 0.58 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 1i50 n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i50 n LYS 22 N -0.52 1.39 -4.38 3.52 5.02 -1.26 -4.87 118.16 117.05 1i50 n LYS 22 Ca 0.00 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 1i50 n LYS 22 Cb 0.00 -0.27 -0.13 0.00 -0.02 0.00 0.00 35.03 34.61 1i50 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i50 s VAL 23 N -0.21 1.55 0.02 -0.18 1.01 -1.26 -0.89 120.40 120.44 1i50 s VAL 23 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1i50 s VAL 23 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1i50 s VAL 23 CO 0.00 0.00 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1i50 s ARG 25 N -1.42 2.75 0.13 0.00 3.52 0.33 -1.21 118.95 123.05 1i50 s ARG 25 Ca -0.15 -1.30 -0.12 0.00 -0.13 0.00 0.00 55.73 54.02 1i50 s ARG 25 Cb -0.09 -3.83 -0.07 0.00 -1.56 0.00 0.00 34.95 29.41 1i50 s ARG 25 CO -0.00 -0.88 0.50 0.42 -0.81 0.00 0.00 175.30 174.53 1i50 s ILE 26 N 1.51 4.95 -0.34 4.11 1.01 0.60 -2.41 121.20 130.63 1i50 s ILE 26 Ca 0.03 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1i50 s ILE 26 Cb -0.22 -3.69 0.12 0.00 0.01 0.00 0.00 42.46 38.68 1i50 s ILE 26 CO 0.05 0.22 0.17 -0.70 0.00 0.00 0.00 174.94 174.68 1i50 s GLU 27 N -2.04 0.56 -0.14 2.79 2.12 -0.94 -0.18 118.70 120.87 1i50 s GLU 27 Ca 0.37 -1.14 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 1i50 s GLU 27 Cb -0.14 -1.50 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 1i50 s GLU 27 CO 0.19 -1.11 -0.02 0.00 -0.54 0.00 0.00 175.26 173.78 1i50 s ALA 28 N 1.37 3.12 0.78 6.30 0.00 -0.72 -1.92 121.76 130.68 1i50 s ALA 28 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1i50 s ALA 28 Cb -0.20 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.42 1i50 s ALA 28 CO -0.14 0.33 1.11 0.00 0.00 0.00 0.00 175.76 177.06 1i50 s ALA 29 N -0.02 2.48 -0.12 0.00 0.00 0.25 -2.57 121.76 121.78 1i50 s ALA 29 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1i50 s ALA 29 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1i50 s ALA 29 CO 0.02 -1.57 0.19 0.45 0.00 0.00 0.00 175.76 174.85 1i50 s SER 30 N -4.18 6.42 0.67 0.00 0.15 -1.03 0.17 113.70 115.90 1i50 s SER 30 Ca 0.60 0.50 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 1i50 s SER 30 Cb -0.13 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1i50 s SER 30 CO 0.52 0.34 1.11 -0.89 1.20 0.00 0.00 173.24 175.52 1i50 s THR 31 N -0.69 3.26 0.00 6.45 2.01 -0.69 -4.45 115.64 121.53 1i50 s THR 31 Ca 0.15 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1i50 s THR 31 Cb -0.13 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1i50 s THR 31 CO 0.04 -0.39 0.00 0.41 -0.69 0.00 0.00 174.62 173.99 1i50 n THR 32 N -2.57 0.00 -1.70 -0.82 -1.04 -1.26 -4.83 114.28 102.06 1i50 n THR 32 Ca 0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 1i50 n THR 32 Cb 0.52 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 1i50 n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1i50 s GLN 33 N 0.00 3.97 0.13 -2.82 -0.21 -1.26 -4.87 119.66 114.60 1i50 s GLN 33 Ca 0.00 2.45 0.18 0.00 0.02 0.00 0.00 55.36 58.01 1i50 s GLN 33 Cb 0.00 -4.18 0.78 0.00 1.00 0.00 0.00 33.01 30.61 1i50 s GLN 33 CO 0.00 -1.15 1.57 -0.25 -2.12 0.00 0.00 175.29 173.34 1i50 n ASP 34 N 8.23 0.33 0.05 5.90 8.00 -1.26 -3.40 116.55 134.40 1i50 n ASP 34 Ca 0.21 0.59 -0.02 0.00 0.71 0.00 0.00 54.79 56.28 1i50 n ASP 34 Cb 0.42 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1i50 n ASP 34 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1i50 h GLN 35 N 0.00 -0.14 -6.01 -1.24 4.20 -1.92 -3.46 115.11 106.54 1i50 h GLN 35 Ca 0.00 0.01 -0.86 0.00 0.06 0.00 0.00 58.65 57.86 1i50 h GLN 35 Cb 0.28 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.10 1i50 h GLN 35 CO 0.00 -0.09 0.69 0.00 -0.67 0.00 0.00 178.83 178.76 1i50 s LYS 37 N 2.96 1.43 -0.19 0.00 1.02 -1.02 -2.46 119.74 121.49 1i50 s LYS 37 Ca 1.04 -1.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1i50 s LYS 37 Cb -1.45 -0.42 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1i50 s LYS 37 CO 0.80 -0.24 0.48 -1.17 -0.92 0.00 0.00 175.35 174.29 1i50 s LEU 38 N -3.34 -0.03 -0.11 3.17 2.96 -1.06 -2.75 118.68 117.52 1i50 s LEU 38 Ca 0.36 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 1i50 s LEU 38 Cb 0.08 1.63 0.01 0.00 0.50 0.00 0.00 46.19 48.41 1i50 s LEU 38 CO 0.13 -0.18 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.93 1i50 s THR 39 N 0.76 1.52 -0.07 3.68 2.01 -1.05 -1.76 115.64 120.71 1i50 s THR 39 Ca -0.04 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1i50 s THR 39 Cb -0.05 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.11 1i50 s THR 39 CO -0.06 0.44 0.35 -0.22 -0.69 0.00 0.00 174.62 174.45 1i50 s LEU 40 N 0.94 0.67 -0.14 4.42 2.96 0.74 -1.19 118.68 127.08 1i50 s LEU 40 Ca -0.08 0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 54.08 1i50 s LEU 40 Cb -0.15 1.31 -0.04 0.00 0.50 0.00 0.00 46.19 47.81 1i50 s LEU 40 CO -0.01 -0.30 0.47 -1.81 -1.32 0.00 0.00 176.35 173.38 1i50 s ASP 41 N -0.59 6.63 -0.02 3.68 1.01 -0.55 -0.29 116.67 126.55 1i50 s ASP 41 Ca -0.07 0.76 0.03 0.00 0.71 0.00 0.00 52.55 53.97 1i50 s ASP 41 Cb -0.04 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.61 1i50 s ASP 41 CO 0.03 -0.03 -0.10 -0.63 0.21 0.00 0.00 175.17 174.65 1i50 s ILE 42 N 0.84 0.80 -1.00 0.77 1.01 -0.35 -4.78 121.20 118.48 1i50 s ILE 42 Ca 0.25 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 1i50 s ILE 42 Cb -0.15 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.65 1i50 s ILE 42 CO 0.10 0.24 1.59 0.21 0.00 0.00 0.00 174.94 177.08 1i50 s ASN 43 N 0.03 6.16 0.52 3.58 3.84 -1.26 -2.00 114.94 125.81 1i50 s ASN 43 Ca -0.01 -1.30 0.22 0.00 0.21 0.00 0.00 52.86 51.98 1i50 s ASN 43 Cb -0.07 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.40 1i50 s ASN 43 CO 0.00 -1.82 2.04 0.58 -2.79 0.00 0.00 177.10 175.11 1i50 h VAL 44 N 6.86 0.83 -0.10 -5.21 2.07 -1.24 -1.77 116.25 117.70 1i50 h VAL 44 Ca 0.18 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1i50 h VAL 44 Cb 1.00 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1i50 h VAL 44 CO 1.37 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 178.75 1i50 h GLU 45 N 0.03 0.00 -0.19 1.57 5.08 -1.88 -1.61 114.58 117.56 1i50 h GLU 45 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1i50 h GLU 45 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1i50 h GLU 45 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1i50 n LEU 46 N -3.82 2.44 -2.65 1.33 4.77 -0.68 -4.81 117.00 113.58 1i50 n LEU 46 Ca -0.00 -1.79 -0.04 0.00 -0.03 0.00 0.00 56.01 54.15 1i50 n LEU 46 Cb 0.22 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1i50 n LEU 46 CO 0.27 0.59 0.63 0.33 -1.33 0.00 0.00 177.39 177.88 1i50 n PHE 47 N 0.26 -0.03 -0.88 -1.77 7.35 -0.84 -4.91 117.46 116.64 1i50 n PHE 47 Ca 0.07 -0.51 -0.34 0.00 -0.76 0.00 0.00 57.45 55.92 1i50 n PHE 47 Cb 0.34 1.00 0.10 0.00 0.35 0.00 0.00 39.48 41.27 1i50 n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1i50 n PRO 48 N 1.90 -0.18 -3.74 -7.13 -0.02 -0.67 -4.47 135.00 120.68 1i50 n PRO 48 Ca 0.04 -0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 1i50 n PRO 48 Cb 0.70 -1.68 -0.09 0.00 -0.02 0.00 0.00 33.50 32.41 1i50 n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i50 s VAL 49 N -2.28 0.04 0.11 -1.45 1.01 -1.26 -5.03 120.40 111.54 1i50 s VAL 49 Ca 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1i50 s VAL 49 Cb -0.22 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1i50 s VAL 49 CO 0.70 -0.18 0.04 0.00 0.00 0.00 0.00 175.10 175.66 1i50 s ALA 50 N -0.91 0.73 0.96 5.51 0.00 -1.26 -5.00 121.76 121.80 1i50 s ALA 50 Ca -0.10 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1i50 s ALA 50 Cb -0.04 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.86 1i50 s ALA 50 CO 0.04 -0.46 0.64 0.00 0.00 0.00 0.00 175.76 175.97 1i50 n ALA 51 N -0.04 -2.18 -0.53 0.00 0.00 -1.26 -2.54 120.51 113.96 1i50 n ALA 51 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1i50 n ALA 51 Cb 0.63 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1i50 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i50 n GLN 52 N -2.67 -1.39 -0.99 0.00 6.02 0.36 -4.94 117.38 113.76 1i50 n GLN 52 Ca 0.08 0.22 -0.30 0.00 -0.01 0.00 0.00 57.00 56.99 1i50 n GLN 52 Cb 0.54 -3.81 0.23 0.00 1.02 0.00 0.00 30.24 28.22 1i50 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i50 s ASP 53 N -1.26 1.14 -0.30 1.08 1.01 -1.05 -4.73 116.67 112.55 1i50 s ASP 53 Ca 0.00 0.86 -0.02 0.00 0.71 0.00 0.00 52.55 54.10 1i50 s ASP 53 Cb 0.00 -1.27 0.10 0.00 1.01 0.00 0.00 42.92 42.76 1i50 s ASP 53 CO 0.00 -4.01 0.10 -0.94 0.21 0.00 0.00 175.17 170.53 1i50 s SER 54 N -3.60 3.84 -0.02 0.27 1.04 -1.26 -2.47 113.70 111.51 1i50 s SER 54 Ca 0.69 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1i50 s SER 54 Cb -0.14 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 1i50 s SER 54 CO 0.57 -0.41 0.19 -0.76 0.98 0.00 0.00 173.24 173.81 1i50 s LEU 55 N 1.75 4.37 -0.26 2.42 1.43 -0.77 -4.85 118.68 122.77 1i50 s LEU 55 Ca 0.09 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1i50 s LEU 55 Cb -0.17 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1i50 s LEU 55 CO -0.27 0.28 0.10 -0.89 0.23 0.00 0.00 176.35 175.80 1i50 s THR 56 N -1.29 4.53 -0.26 5.49 2.01 -1.25 0.21 115.64 125.08 1i50 s THR 56 Ca 0.26 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1i50 s THR 56 Cb -0.13 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.25 1i50 s THR 56 CO 0.17 0.30 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.70 1i50 s VAL 57 N 1.64 3.35 -0.13 3.82 1.01 0.34 -3.29 120.40 127.14 1i50 s VAL 57 Ca 0.06 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1i50 s VAL 57 Cb -0.15 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1i50 s VAL 57 CO 0.05 0.21 -0.18 -0.89 0.00 0.00 0.00 175.10 174.29 1i50 s THR 58 N 1.42 2.47 0.00 3.92 2.01 -0.82 -2.93 115.64 121.70 1i50 s THR 58 Ca 0.02 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1i50 s THR 58 Cb -0.16 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1i50 s THR 58 CO -0.02 0.53 0.00 -0.38 -0.69 0.00 0.00 174.62 174.07 1i50 n ILE 59 N 3.84 0.00 -2.51 1.82 5.41 -0.79 -1.09 119.36 126.05 1i50 n ILE 59 Ca -0.19 0.10 0.05 0.00 1.00 0.00 0.00 62.75 63.71 1i50 n ILE 59 Cb 0.52 -0.42 -0.01 0.00 -0.71 0.00 0.00 39.64 39.02 1i50 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 n ALA 60 N -0.94 -0.96 -1.74 -1.39 0.00 -1.26 -4.09 120.51 110.13 1i50 n ALA 60 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 1i50 n ALA 60 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1i50 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i50 n SER 61 N -1.80 -0.32 0.00 0.00 3.41 -1.26 -3.39 113.62 110.25 1i50 n SER 61 Ca 0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1i50 n SER 61 Cb 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1i50 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i50 n SER 62 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.82 113.62 114.99 1i50 n SER 62 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1i50 n SER 62 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1i50 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i50 n LEU 63 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.96 117.00 116.59 1i50 n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i50 n LEU 63 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1i50 n LEU 63 CO 0.00 0.00 0.02 0.41 -1.33 0.00 0.00 177.39 176.49 1i50 n THR 76 N 0.00 0.00 -1.12 -5.08 -1.04 -1.26 -4.75 114.28 101.02 1i50 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i50 n THR 76 Cb 0.00 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1i50 n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i50 n ARG 77 N 0.00 -3.22 0.00 -2.82 1.74 -1.26 -4.90 116.66 106.21 1i50 n ARG 77 Ca 0.00 2.39 0.00 0.00 -0.77 0.00 0.00 57.85 59.47 1i50 n ARG 77 Cb 0.30 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 1i50 n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1i50 n SER 78 N -0.77 -0.28 0.00 0.55 3.41 -1.26 -4.99 113.62 110.28 1i50 n SER 78 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1i50 n SER 78 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i50 n SER 78 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1i50 n TRP 79 N -1.19 0.00 -4.33 7.33 -0.00 -1.26 -5.10 117.44 112.89 1i50 n TRP 79 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.25 1i50 n TRP 79 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.22 1i50 n TRP 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1i50 s ARG 80 N -1.62 2.09 0.00 5.87 0.52 -1.26 -5.06 118.95 119.48 1i50 s ARG 80 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 1i50 s ARG 80 Cb 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1i50 s ARG 80 CO 0.00 0.38 0.00 -2.30 0.02 0.00 0.00 175.30 173.40 1i50 n PRO 81 N -0.50 0.00 0.00 3.54 -0.02 -1.26 -5.02 135.00 131.74 1i50 n PRO 81 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1i50 n PRO 81 Cb 0.58 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 1i50 n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1i50 n PRO 82 N -1.56 0.00 0.00 0.52 -0.04 -1.26 -4.58 135.00 128.08 1i50 n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1i50 n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1i50 n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1i50 n GLN 83 N 0.00 0.00 0.08 0.54 6.02 -1.26 -2.48 117.38 120.28 1i50 n GLN 83 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1i50 n GLN 83 Cb 0.00 0.00 0.74 0.00 1.02 0.00 0.00 30.24 32.00 1i50 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i50 h ALA 84 N -0.05 2.18 0.00 -1.58 0.00 -1.95 0.70 119.26 118.57 1i50 h ALA 84 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i50 h ALA 84 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i50 h ALA 84 CO 0.00 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.01 1i50 n GLY 85 N -1.51 -0.81 0.29 0.00 0.00 -1.03 0.11 105.19 102.22 1i50 n GLY 85 Ca 0.08 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1i50 n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i50 n ASP 86 N -1.87 1.39 0.00 1.61 -0.08 0.24 -4.93 116.55 112.92 1i50 n ASP 86 Ca 0.00 -1.20 0.00 0.00 -1.51 0.00 0.00 54.79 52.09 1i50 n ASP 86 Cb 0.07 0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1i50 n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1i50 n ARG 87 N -0.14 0.00 -0.83 -0.67 1.74 0.29 -4.95 116.66 112.10 1i50 n ARG 87 Ca 0.05 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.96 1i50 n ARG 87 Cb 0.25 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.64 1i50 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1i50 n SER 88 N 0.00 -0.22 -2.51 0.55 3.41 -1.20 -4.72 113.62 108.94 1i50 n SER 88 Ca 0.00 -1.37 -0.19 0.00 -0.26 0.00 0.00 58.87 57.05 1i50 n SER 88 Cb 0.00 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1i50 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i50 n LEU 89 N 6.23 5.69 -0.08 1.04 4.77 -1.26 -4.65 117.00 128.74 1i50 n LEU 89 Ca 0.19 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 1i50 n LEU 89 Cb 0.33 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1i50 n LEU 89 CO 0.63 1.50 0.00 0.00 -1.33 0.00 0.00 177.39 178.19 1i50 n ALA 90 N 3.00 1.37 -3.37 -1.18 0.00 -1.26 -4.23 120.51 114.84 1i50 n ALA 90 Ca 0.49 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.48 1i50 n ALA 90 Cb 0.58 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1i50 n ALA 90 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1i50 s ASP 91 N -1.78 6.84 -0.17 0.00 -4.77 -1.26 -4.79 116.67 110.74 1i50 s ASP 91 Ca 0.00 -3.09 0.11 0.00 -3.30 0.00 0.00 52.55 46.26 1i50 s ASP 91 Cb 0.00 -2.17 0.60 0.00 -1.09 0.00 0.00 42.92 40.26 1i50 s ASP 91 CO 0.00 -0.43 1.42 0.47 0.70 0.00 0.00 175.17 177.32 1i50 n ASP 92 N 3.38 4.41 -2.21 2.11 8.00 -1.26 -4.89 116.55 126.09 1i50 n ASP 92 Ca 0.18 -2.65 -0.06 0.00 0.71 0.00 0.00 54.79 52.96 1i50 n ASP 92 Cb 0.43 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1i50 n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1i50 n TYR 93 N 0.49 0.10 0.00 1.24 4.02 -1.26 -4.93 117.16 116.83 1i50 n TYR 93 Ca 0.20 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1i50 n TYR 93 Cb 0.92 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 1i50 n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1i50 n ASP 94 N -1.68 0.00 -4.73 7.72 8.00 -0.22 -4.98 116.55 120.66 1i50 n ASP 94 Ca -0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.06 1i50 n ASP 94 Cb 0.15 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1i50 n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1i50 s TYR 95 N -0.80 3.49 -0.24 1.24 5.04 -0.93 -4.94 117.35 120.22 1i50 s TYR 95 Ca 0.00 1.45 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1i50 s TYR 95 Cb 0.00 -3.37 0.11 0.00 0.35 0.00 0.00 41.96 39.06 1i50 s TYR 95 CO 0.00 -1.00 0.27 0.08 -1.34 0.00 0.00 175.55 173.56 1i50 s VAL 96 N 0.21 -0.38 0.07 3.14 1.01 -1.26 -2.07 120.40 121.12 1i50 s VAL 96 Ca 0.53 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1i50 s VAL 96 Cb -0.30 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1i50 s VAL 96 CO 0.34 -0.31 0.08 0.23 0.00 0.00 0.00 175.10 175.44 1i50 n MET 97 N 5.32 1.11 -3.15 2.72 2.81 -0.32 -4.94 117.12 120.68 1i50 n MET 97 Ca -0.04 -0.39 0.05 0.00 -1.81 0.00 0.00 57.70 55.51 1i50 n MET 97 Cb 0.48 -0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1i50 n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1i50 s TYR 98 N 0.25 -0.98 0.00 2.03 5.04 -1.26 -2.56 117.35 119.86 1i50 s TYR 98 Ca 0.06 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1i50 s TYR 98 Cb -0.00 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1i50 s TYR 98 CO 0.04 -0.56 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1i50 n GLY 99 N 5.28 7.35 3.35 8.97 0.00 -1.11 -4.60 105.19 124.43 1i50 n GLY 99 Ca 0.05 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 1i50 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i50 s THR 100 N 0.70 1.87 -0.50 2.61 2.01 0.93 -3.85 115.64 119.42 1i50 s THR 100 Ca 0.00 -1.97 -0.16 0.00 0.31 0.00 0.00 61.69 59.86 1i50 s THR 100 Cb 0.00 -1.90 0.08 0.00 0.01 0.00 0.00 72.50 70.70 1i50 s THR 100 CO 0.00 -0.33 0.47 0.00 -0.69 0.00 0.00 174.62 174.07 1i50 s ALA 101 N -2.13 3.55 -0.42 7.40 0.00 -1.22 0.10 121.76 129.05 1i50 s ALA 101 Ca 0.17 -2.16 0.06 0.00 0.00 0.00 0.00 51.96 50.03 1i50 s ALA 101 Cb -0.05 -3.18 0.68 0.00 0.00 0.00 0.00 23.12 20.57 1i50 s ALA 101 CO 0.07 -1.87 1.87 2.48 0.00 0.00 0.00 175.76 178.32 1i50 n TYR 102 N 5.42 2.85 -1.55 0.00 0.18 -1.10 -4.42 117.16 118.55 1i50 n TYR 102 Ca -0.12 -1.70 -0.59 0.00 1.88 0.00 0.00 57.90 57.37 1i50 n TYR 102 Cb 0.43 -0.87 -0.09 0.00 -0.38 0.00 0.00 39.34 38.43 1i50 n TYR 102 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1i50 n LYS 103 N -0.93 0.57 -3.28 -3.48 5.02 -0.94 -4.80 118.16 110.32 1i50 n LYS 103 Ca 0.55 0.19 -0.46 0.00 -2.02 0.00 0.00 58.31 56.57 1i50 n LYS 103 Cb 1.59 -1.87 -0.01 0.00 -0.02 0.00 0.00 35.03 34.71 1i50 n LYS 103 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1i50 s PHE 104 N 4.79 3.90 -0.88 2.13 0.40 -1.26 -4.81 117.98 122.26 1i50 s PHE 104 Ca 1.08 -2.24 -0.22 0.00 -0.60 0.00 0.00 56.93 54.95 1i50 s PHE 104 Cb -1.24 -3.90 -0.19 0.00 0.51 0.00 0.00 43.02 38.20 1i50 s PHE 104 CO 0.66 -1.04 1.99 0.39 0.70 0.00 0.00 175.22 177.92 1i50 n GLU 105 N 3.78 0.14 -0.18 0.44 4.71 -1.25 -4.63 120.64 123.64 1i50 n GLU 105 Ca 0.20 -1.28 0.30 0.00 -0.01 0.00 0.00 57.16 56.37 1i50 n GLU 105 Cb 0.44 -3.38 0.68 0.00 -1.01 0.00 0.00 31.44 28.17 1i50 n GLU 105 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1i50 h GLU 106 N 11.40 0.00 -6.59 3.49 5.08 -1.91 -3.44 114.58 122.61 1i50 h GLU 106 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1i50 h GLU 106 Cb 1.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.08 1i50 h GLU 106 CO 1.02 0.00 -0.80 0.28 -1.00 0.00 0.00 179.01 178.51 1i50 n VAL 107 N -3.78 -1.17 -2.16 3.13 0.31 -1.26 -4.82 118.33 108.58 1i50 n VAL 107 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 1i50 n VAL 107 Cb 1.16 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.18 1i50 n VAL 107 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1i50 s SER 108 N -3.24 6.82 0.38 4.52 1.04 -1.01 -4.73 113.70 117.48 1i50 s SER 108 Ca 0.72 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.48 1i50 s SER 108 Cb -0.39 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.15 1i50 s SER 108 CO 0.88 -0.66 0.00 0.29 0.98 0.00 0.00 173.24 174.74 1i50 n LYS 109 N 3.93 0.00 -0.00 4.02 5.02 -1.26 -1.01 118.16 128.86 1i50 n LYS 109 Ca 0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1i50 n LYS 109 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.42 1i50 n LYS 109 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1i50 n ASP 110 N 5.04 3.51 -4.92 4.39 8.00 -1.26 -5.05 116.55 126.26 1i50 n ASP 110 Ca 0.00 -0.13 -0.26 0.00 0.71 0.00 0.00 54.79 55.11 1i50 n ASP 110 Cb 0.00 1.06 0.02 0.00 -0.02 0.00 0.00 41.12 42.19 1i50 n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i50 s LEU 111 N -2.87 3.34 -0.20 0.64 1.43 -0.18 -4.91 118.68 115.92 1i50 s LEU 111 Ca -0.00 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1i50 s LEU 111 Cb 0.01 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1i50 s LEU 111 CO 0.07 -0.95 -0.03 -0.63 0.23 0.00 0.00 176.35 175.04 1i50 s ILE 112 N -2.90 1.14 0.00 -0.59 1.01 0.13 -2.42 121.20 117.57 1i50 s ILE 112 Ca 0.52 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1i50 s ILE 112 Cb -0.10 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1i50 s ILE 112 CO 0.44 -0.07 0.22 0.00 0.00 0.00 0.00 174.94 175.53 1i50 s ALA 113 N 1.59 3.92 0.08 9.38 0.00 -1.26 -2.77 121.76 132.69 1i50 s ALA 113 Ca -0.03 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1i50 s ALA 113 Cb -0.17 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1i50 s ALA 113 CO -0.07 0.71 -0.16 0.14 0.00 0.00 0.00 175.76 176.39 1i50 s VAL 114 N -1.33 1.25 -0.07 0.00 -7.23 -0.50 -3.12 120.40 109.41 1i50 s VAL 114 Ca 0.28 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1i50 s VAL 114 Cb -0.13 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 1i50 s VAL 114 CO 0.18 -0.21 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.24 1i50 s TYR 115 N -1.34 2.54 0.19 2.82 1.51 -1.26 -1.95 117.35 119.86 1i50 s TYR 115 Ca 0.01 -0.60 0.11 0.00 -1.01 0.00 0.00 57.07 55.58 1i50 s TYR 115 Cb -0.09 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1i50 s TYR 115 CO 0.03 -0.14 -0.24 0.71 -1.11 0.00 0.00 175.55 174.80 1i50 s TYR 116 N -0.21 2.29 -0.16 2.71 1.51 -0.26 -2.22 117.35 121.01 1i50 s TYR 116 Ca -0.01 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1i50 s TYR 116 Cb -0.13 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1i50 s TYR 116 CO 0.03 0.48 -0.05 0.45 -1.11 0.00 0.00 175.55 175.35 1i50 s SER 117 N -2.61 2.80 -0.98 2.29 0.15 0.28 -1.93 113.70 113.70 1i50 s SER 117 Ca 0.20 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 56.13 1i50 s SER 117 Cb -0.08 -0.91 0.25 0.00 -1.71 0.00 0.00 66.02 63.56 1i50 s SER 117 CO 0.09 -0.18 0.93 -0.36 1.20 0.00 0.00 173.24 174.92 1i50 s PHE 118 N 1.63 4.05 -1.85 3.44 0.40 0.29 -0.05 117.98 125.89 1i50 s PHE 118 Ca 0.01 -2.70 0.00 0.00 -0.60 0.00 0.00 56.93 53.64 1i50 s PHE 118 Cb -0.15 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.76 1i50 s PHE 118 CO -0.08 -0.89 0.00 0.41 0.70 0.00 0.00 175.22 175.37 1i50 n GLY 119 N 2.80 1.66 0.00 4.36 0.00 -1.26 -0.16 105.19 112.59 1i50 n GLY 119 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1i50 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i50 n GLY 120 N -0.32 2.22 3.63 -0.02 0.00 -1.26 -5.05 105.19 104.38 1i50 n GLY 120 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1i50 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 121 N 0.00 3.92 0.45 0.99 1.43 0.77 -5.01 118.68 121.24 1i50 s LEU 121 Ca 0.00 0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1i50 s LEU 121 Cb 0.00 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1i50 s LEU 121 CO 0.00 -0.90 0.72 -0.76 0.23 0.00 0.00 176.35 175.64 1i50 s LEU 122 N 3.66 3.70 -0.11 1.79 1.43 -1.26 0.11 118.68 127.99 1i50 s LEU 122 Ca 0.44 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 1i50 s LEU 122 Cb -0.12 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1i50 s LEU 122 CO 0.17 -0.56 0.45 -0.32 0.23 0.00 0.00 176.35 176.32 1i50 s MET 123 N -4.62 0.65 -0.19 1.70 -2.45 -0.81 -1.48 119.30 112.09 1i50 s MET 123 Ca 0.46 0.34 -0.05 0.00 -1.25 0.00 0.00 55.69 55.20 1i50 s MET 123 Cb -0.10 0.31 0.10 0.00 1.25 0.00 0.00 34.83 36.38 1i50 s MET 123 CO 0.42 -0.14 0.33 0.50 1.05 0.00 0.00 175.02 177.18 1i50 s ARG 124 N -0.42 0.26 0.10 4.11 3.52 -0.34 -1.10 118.95 125.08 1i50 s ARG 124 Ca -0.06 0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1i50 s ARG 124 Cb -0.03 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.07 1i50 s ARG 124 CO 0.03 -0.44 0.30 -0.51 -0.81 0.00 0.00 175.30 173.87 1i50 s LEU 125 N 2.50 4.31 -0.20 -0.88 1.43 -0.82 -2.54 118.68 122.48 1i50 s LEU 125 Ca 0.05 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1i50 s LEU 125 Cb -0.14 -3.14 0.06 0.00 0.03 0.00 0.00 46.19 43.01 1i50 s LEU 125 CO -0.12 0.11 0.05 -0.70 0.23 0.00 0.00 176.35 175.92 1i50 s GLU 126 N -2.58 0.53 0.00 1.70 2.12 -1.11 -1.41 118.70 117.96 1i50 s GLU 126 Ca 0.38 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1i50 s GLU 126 Cb -0.13 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.23 1i50 s GLU 126 CO 0.26 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 1i50 n GLY 127 N 5.09 3.64 0.00 -1.50 0.00 -1.12 -2.43 105.19 108.88 1i50 n GLY 127 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1i50 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i50 n ASN 128 N 0.00 0.00 -0.12 1.61 2.85 -1.26 0.21 115.26 118.55 1i50 n ASN 128 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1i50 n ASN 128 Cb 0.00 0.00 0.70 0.00 1.24 0.00 0.00 39.78 41.72 1i50 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i50 n TYR 129 N -0.25 0.02 1.75 1.20 0.18 -1.26 -3.74 117.16 115.06 1i50 n TYR 129 Ca 0.00 -0.01 0.15 0.00 1.88 0.00 0.00 57.90 59.92 1i50 n TYR 129 Cb 0.00 0.00 0.80 0.00 -0.38 0.00 0.00 39.34 39.76 1i50 n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1i50 n ARG 130 N -0.65 0.99 -0.20 -3.48 1.74 -1.26 -4.18 116.66 109.62 1i50 n ARG 130 Ca 0.19 -0.19 0.31 0.00 -0.77 0.00 0.00 57.85 57.38 1i50 n ARG 130 Cb 0.15 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 30.81 1i50 n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1i50 h ASN 131 N 0.47 0.00 0.00 0.55 2.35 -1.94 0.59 115.58 117.60 1i50 h ASN 131 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1i50 h ASN 131 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1i50 h ASN 131 CO 0.00 0.00 -0.00 0.18 -1.65 0.00 0.00 177.43 175.96 1i50 n LEU 132 N -3.98 2.02 -0.08 1.61 4.77 -1.26 -4.78 117.00 115.30 1i50 n LEU 132 Ca 0.20 -2.20 -0.08 0.00 -0.03 0.00 0.00 56.01 53.90 1i50 n LEU 132 Cb 1.11 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 1i50 n LEU 132 CO 0.36 0.54 -0.58 0.59 -1.33 0.00 0.00 177.39 176.97 1i50 n ASN 133 N -0.71 1.90 -4.88 -1.43 3.02 0.20 -5.05 115.26 108.31 1i50 n ASN 133 Ca 0.04 0.43 -0.25 0.00 -0.03 0.00 0.00 54.58 54.78 1i50 n ASN 133 Cb 0.35 -0.79 0.07 0.00 -0.61 0.00 0.00 39.78 38.81 1i50 n ASN 133 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i50 s ASN 134 N -5.87 4.81 0.65 6.41 0.01 -0.87 -4.73 114.94 115.35 1i50 s ASN 134 Ca -0.24 0.25 -0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1i50 s ASN 134 Cb 0.03 -0.91 0.05 0.00 0.41 0.00 0.00 41.25 40.84 1i50 s ASN 134 CO 0.36 -1.56 0.32 0.18 -1.51 0.00 0.00 177.10 174.89 1i50 n LEU 135 N -2.80 0.00 -0.30 0.60 4.77 -1.26 -4.98 117.00 113.02 1i50 n LEU 135 Ca 0.09 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1i50 n LEU 135 Cb 0.60 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1i50 n LEU 135 CO 0.49 -0.68 0.23 1.17 -1.33 0.00 0.00 177.39 177.27 1i50 n LYS 136 N -1.62 0.00 -4.09 3.23 4.81 -1.26 -5.06 118.16 114.17 1i50 n LYS 136 Ca 0.05 -0.65 -0.14 0.00 -0.87 0.00 0.00 58.31 56.70 1i50 n LYS 136 Cb 0.17 -0.41 -0.12 0.00 0.02 0.00 0.00 35.03 34.69 1i50 n LYS 136 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1i50 s GLN 137 N 0.00 0.53 0.00 1.64 -0.21 -1.26 -4.98 119.66 115.38 1i50 s GLN 137 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1i50 s GLN 137 Cb 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.67 1i50 s GLN 137 CO 0.00 0.07 0.00 -1.91 -2.12 0.00 0.00 175.29 171.33 1i50 n GLU 138 N 1.71 0.00 0.00 2.91 2.13 -1.26 -4.27 120.64 121.86 1i50 n GLU 138 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1i50 n GLU 138 Cb 0.55 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1i50 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1i50 n ASN 139 N 0.00 0.00 0.00 4.31 3.02 -1.26 -3.38 115.26 117.95 1i50 n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1i50 n ASN 139 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1i50 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i50 n ALA 140 N 0.00 0.00 -2.55 5.41 0.00 -1.25 -4.90 120.51 117.22 1i50 n ALA 140 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1i50 n ALA 140 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i50 n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1i50 s TYR 141 N 0.00 3.26 -0.09 0.00 1.51 -1.22 -2.73 117.35 118.08 1i50 s TYR 141 Ca 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1i50 s TYR 141 Cb 0.00 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1i50 s TYR 141 CO 0.00 -0.01 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.19 1i50 s LEU 142 N -4.27 1.22 0.08 -1.29 2.96 -1.06 -4.30 118.68 112.01 1i50 s LEU 142 Ca 0.43 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.18 1i50 s LEU 142 Cb -0.10 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 1i50 s LEU 142 CO 0.33 -0.09 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.26 1i50 s LEU 143 N 1.44 2.23 -0.10 -0.68 1.43 -0.25 -1.17 118.68 121.58 1i50 s LEU 143 Ca -0.01 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 1i50 s LEU 143 Cb -0.13 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1i50 s LEU 143 CO -0.04 0.21 0.27 -0.63 0.23 0.00 0.00 176.35 176.38 1i50 s ILE 144 N -0.91 0.00 -0.00 -0.59 1.01 -0.88 -1.95 121.20 117.88 1i50 s ILE 144 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1i50 s ILE 144 Cb -0.10 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1i50 s ILE 144 CO 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 174.94 174.95 1i50 s ARG 145 N 0.09 0.18 0.00 2.79 1.70 -1.21 -1.05 118.95 121.45 1i50 s ARG 145 Ca -0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1i50 s ARG 145 Cb -0.02 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 1i50 s ARG 145 CO 0.00 0.02 0.00 0.54 -1.08 0.00 0.00 175.30 174.79