#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ut1 s SER 1 N 0.00 -0.21 -0.05 1.61 1.04 0.16 -4.98 113.70 111.27 1ut1 s SER 1 Ca 0.00 -0.05 -0.20 0.00 0.48 0.00 0.00 55.95 56.18 1ut1 s SER 1 Cb 0.00 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 1ut1 s SER 1 CO 0.00 -0.60 0.58 0.12 0.98 0.00 0.00 173.24 174.32 1ut1 s PHE 2 N -2.26 3.62 -0.31 5.02 2.19 -1.26 -0.34 117.98 124.64 1ut1 s PHE 2 Ca -0.07 1.12 -0.06 0.00 0.33 0.00 0.00 56.93 58.26 1ut1 s PHE 2 Cb -0.02 -2.62 0.02 0.00 -1.31 0.00 0.00 43.02 39.09 1ut1 s PHE 2 CO -0.01 0.26 0.07 0.99 1.83 0.00 0.00 175.22 178.35 1ut1 s THR 3 N 0.20 3.73 0.10 0.12 2.01 0.16 -4.97 115.64 116.98 1ut1 s THR 3 Ca 0.31 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 61.08 1ut1 s THR 3 Cb -0.17 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 1ut1 s THR 3 CO 0.15 -0.01 1.83 -2.84 -0.69 0.00 0.00 174.62 173.06 1ut1 s PRO 4 N 1.43 4.14 -0.43 4.92 0.02 -1.26 -1.90 135.00 141.92 1ut1 s PRO 4 Ca 0.00 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.62 1ut1 s PRO 4 Cb -0.18 -3.68 0.19 0.00 0.02 0.00 0.00 34.50 30.85 1ut1 s PRO 4 CO 0.02 -0.85 0.77 0.45 -0.33 0.00 0.00 177.00 177.06 1ut1 s SER 5 N 2.94 -1.21 0.00 2.53 0.15 -0.41 -4.94 113.70 112.75 1ut1 s SER 5 Ca 0.81 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1ut1 s SER 5 Cb -0.45 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1ut1 s SER 5 CO 0.36 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1ut1 n GLY 6 N 3.54 -0.57 3.87 9.45 0.00 -1.13 -3.56 105.19 116.79 1ut1 n GLY 6 Ca 0.13 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 1ut1 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ut1 s THR 7 N -3.00 1.52 -0.10 2.61 -4.23 -1.26 -4.71 115.64 106.47 1ut1 s THR 7 Ca 0.00 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1ut1 s THR 7 Cb 0.00 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1ut1 s THR 7 CO 0.00 0.00 -0.20 -0.89 -0.54 0.00 0.00 174.62 172.99 1ut1 s THR 8 N -2.80 2.46 -0.14 3.99 2.01 -1.26 -1.34 115.64 118.56 1ut1 s THR 8 Ca 0.27 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1ut1 s THR 8 Cb -0.01 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1ut1 s THR 8 CO 0.17 0.55 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.78 1ut1 s GLY 9 N 0.19 1.72 -0.22 4.40 0.00 0.05 -4.97 107.32 108.50 1ut1 s GLY 9 Ca -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1ut1 s GLY 9 CO 0.06 -0.19 -0.11 -1.08 0.00 0.00 0.00 173.10 171.78 1ut1 s THR 10 N 0.10 2.63 -0.27 0.90 -1.32 -1.26 -0.98 115.64 115.44 1ut1 s THR 10 Ca -0.01 -0.90 -0.13 0.00 -1.21 0.00 0.00 61.69 59.44 1ut1 s THR 10 Cb -0.14 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1ut1 s THR 10 CO 0.03 0.37 0.28 -0.89 -2.21 0.00 0.00 174.62 172.21 1ut1 s THR 11 N 1.33 5.24 0.13 5.08 2.01 0.82 -4.97 115.64 125.29 1ut1 s THR 11 Ca 0.03 0.38 0.10 0.00 0.31 0.00 0.00 61.69 62.52 1ut1 s THR 11 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1ut1 s THR 11 CO -0.08 0.21 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.29 1ut1 s LYS 12 N 1.84 1.52 -0.16 4.92 1.02 -1.26 -0.69 119.74 126.94 1ut1 s LYS 12 Ca 0.11 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.69 1ut1 s LYS 12 Cb -0.16 -1.96 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1ut1 s LYS 12 CO 0.10 0.45 0.38 -1.17 -0.92 0.00 0.00 175.35 174.20 1ut1 s LEU 13 N -2.15 0.11 -0.23 3.17 2.96 -0.34 -4.79 118.68 117.41 1ut1 s LEU 13 Ca 0.16 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 54.78 1ut1 s LEU 13 Cb -0.10 1.26 -0.05 0.00 0.50 0.00 0.00 46.19 47.80 1ut1 s LEU 13 CO 0.08 -0.18 0.16 -0.89 -1.32 0.00 0.00 176.35 174.20 1ut1 s THR 14 N 1.11 5.36 -0.16 3.68 2.01 -0.36 -0.52 115.64 126.77 1ut1 s THR 14 Ca -0.07 0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1ut1 s THR 14 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1ut1 s THR 14 CO -0.09 0.36 0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 1ut1 s VAL 15 N 0.93 5.20 0.36 3.82 1.01 0.08 -0.91 120.40 130.89 1ut1 s VAL 15 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1ut1 s VAL 15 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1ut1 s VAL 15 CO 0.03 0.51 0.11 0.42 0.00 0.00 0.00 175.10 176.18 1ut1 s THR 16 N -0.12 0.70 0.86 3.92 -4.23 -0.27 -1.56 115.64 114.93 1ut1 s THR 16 Ca 0.09 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1ut1 s THR 16 Cb -0.12 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.38 1ut1 s THR 16 CO 0.01 0.00 1.18 -1.61 -0.54 0.00 0.00 174.62 173.65 1ut1 s GLU 17 N -3.80 1.03 0.21 3.99 0.41 -1.26 -0.67 118.70 118.61 1ut1 s GLU 17 Ca 0.30 -0.84 -0.10 0.00 -0.41 0.00 0.00 54.97 53.93 1ut1 s GLU 17 Cb 0.05 -2.08 0.21 0.00 -1.78 0.00 0.00 34.13 30.53 1ut1 s GLU 17 CO 0.15 -2.01 1.84 -0.22 -0.49 0.00 0.00 175.26 174.53 1ut1 h LYS 18 N -1.14 0.80 -6.49 1.61 3.64 -1.98 -3.33 116.57 109.68 1ut1 h LYS 18 Ca -0.40 -0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.37 1ut1 h LYS 18 Cb 1.24 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1ut1 h LYS 18 CO 0.36 0.53 0.87 0.00 -2.27 0.00 0.00 179.45 178.95 1ut1 s GLN 20 N 4.55 2.74 -0.40 0.00 0.74 -1.25 -5.07 119.66 120.97 1ut1 s GLN 20 Ca 0.42 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 1ut1 s GLN 20 Cb -0.08 -2.31 0.10 0.00 1.10 0.00 0.00 33.01 31.82 1ut1 s GLN 20 CO 0.27 -0.11 0.18 0.08 -0.55 0.00 0.00 175.29 175.16 1ut1 s VAL 21 N 1.07 3.23 -0.01 1.34 1.01 -1.26 -5.08 120.40 120.69 1ut1 s VAL 21 Ca -0.02 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 1ut1 s VAL 21 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1ut1 s VAL 21 CO -0.06 -0.64 1.04 -0.13 0.00 0.00 0.00 175.10 175.32 1ut1 s ARG 22 N 1.14 4.49 -0.16 2.72 0.52 -1.26 -5.03 118.95 121.37 1ut1 s ARG 22 Ca 0.07 1.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1ut1 s ARG 22 Cb -0.22 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1ut1 s ARG 22 CO -0.04 -0.17 -0.15 0.08 0.02 0.00 0.00 175.30 175.04 1ut1 s VAL 23 N 1.31 1.65 0.00 3.52 1.01 -1.26 -5.05 120.40 121.58 1ut1 s VAL 23 Ca 0.53 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1ut1 s VAL 23 Cb -0.22 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ut1 s VAL 23 CO 0.26 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1ut1 n GLY 24 N 4.74 -1.35 3.74 4.51 0.00 -1.26 -4.92 105.19 110.66 1ut1 n GLY 24 Ca -0.17 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1ut1 n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ut1 s ASP 25 N -4.00 4.85 0.23 1.61 -0.00 -1.26 -4.91 116.67 113.20 1ut1 s ASP 25 Ca 0.00 2.52 -0.31 0.00 -0.00 0.00 0.00 52.55 54.76 1ut1 s ASP 25 Cb 0.00 -2.61 -0.11 0.00 -0.00 0.00 0.00 42.92 40.20 1ut1 s ASP 25 CO 0.00 -1.83 1.59 -0.76 -0.00 0.00 0.00 175.17 174.17 1ut1 s LEU 26 N -4.25 4.36 0.18 1.23 1.43 -1.26 -5.01 118.68 115.37 1ut1 s LEU 26 Ca 0.80 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.70 1ut1 s LEU 26 Cb -0.34 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1ut1 s LEU 26 CO 0.37 -0.87 0.06 0.42 0.23 0.00 0.00 176.35 176.56 1ut1 s THR 27 N 0.54 0.31 -0.29 5.49 -4.23 -1.26 -5.10 115.64 111.10 1ut1 s THR 27 Ca 0.67 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1ut1 s THR 27 Cb -0.46 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1ut1 s THR 27 CO 0.39 -0.30 1.57 -0.69 -0.54 0.00 0.00 174.62 175.06 1ut1 s VAL 28 N -3.92 3.75 0.00 2.29 1.01 -1.26 -4.98 120.40 117.29 1ut1 s VAL 28 Ca 0.29 0.81 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1ut1 s VAL 28 Cb 0.07 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1ut1 s VAL 28 CO 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 175.10 174.69 1ut1 s ALA 29 N 5.51 0.31 0.08 5.51 0.00 -1.26 -1.22 121.76 130.69 1ut1 s ALA 29 Ca 0.69 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1ut1 s ALA 29 Cb -0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ut1 s ALA 29 CO 0.30 0.04 -0.11 0.15 0.00 0.00 0.00 175.76 176.15 1ut1 s LYS 30 N -0.37 0.78 0.59 0.00 1.02 -0.09 -4.95 119.74 116.73 1ut1 s LYS 30 Ca -0.01 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 54.80 1ut1 s LYS 30 Cb -0.03 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 1ut1 s LYS 30 CO -0.00 0.10 1.03 0.95 -0.92 0.00 0.00 175.35 176.51 1ut1 s THR 31 N -1.96 4.21 0.39 2.17 -4.23 -1.26 -1.12 115.64 113.84 1ut1 s THR 31 Ca 0.01 0.94 0.32 0.00 -1.18 0.00 0.00 61.69 61.78 1ut1 s THR 31 Cb -0.06 -3.56 0.35 0.00 1.34 0.00 0.00 72.50 70.56 1ut1 s THR 31 CO 0.01 -0.72 2.11 0.08 -0.54 0.00 0.00 174.62 175.56 1ut1 h ARG 32 N 0.27 0.00 0.00 3.99 0.11 -1.20 -0.28 114.38 117.28 1ut1 h ARG 32 Ca -0.46 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 1ut1 h ARG 32 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 1ut1 h ARG 32 CO 0.59 0.07 -0.08 0.78 0.10 0.00 0.00 179.97 181.43 1ut1 h GLY 33 N 0.96 0.00 0.97 0.08 0.00 -1.84 -1.87 103.07 101.37 1ut1 h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ut1 h GLY 33 CO 0.01 0.00 -0.07 -1.06 0.00 0.00 0.00 176.54 175.42 1ut1 n GLN 34 N -3.31 0.73 -1.59 4.80 6.02 -0.12 -4.42 117.38 119.48 1ut1 n GLN 34 Ca -0.01 -0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 56.47 1ut1 n GLN 34 Cb 0.27 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 1ut1 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ut1 n LEU 35 N -0.97 7.32 -4.91 1.08 4.77 -0.70 -4.85 117.00 118.74 1ut1 n LEU 35 Ca 0.16 -4.32 -0.27 0.00 -0.03 0.00 0.00 56.01 51.55 1ut1 n LEU 35 Cb 0.25 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1ut1 n LEU 35 CO 0.22 1.92 0.51 0.42 -1.33 0.00 0.00 177.39 179.14 1ut1 s THR 36 N -0.63 4.04 0.31 -5.08 -4.23 -1.26 0.08 115.64 108.88 1ut1 s THR 36 Ca 0.60 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 1ut1 s THR 36 Cb 0.26 -3.58 -0.13 0.00 1.34 0.00 0.00 72.50 70.39 1ut1 s THR 36 CO -0.11 -0.60 1.32 -0.67 -0.54 0.00 0.00 174.62 174.02 1ut1 n ASP 37 N -2.50 2.78 0.00 3.99 4.64 -1.26 -1.61 116.55 122.59 1ut1 n ASP 37 Ca 0.03 1.19 0.00 0.00 -1.38 0.00 0.00 54.79 54.63 1ut1 n ASP 37 Cb 0.57 -1.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.18 1ut1 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ut1 n ALA 38 N 0.78 0.00 -1.83 -1.67 0.00 0.52 -4.95 120.51 113.36 1ut1 n ALA 38 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1ut1 n ALA 38 Cb 0.35 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1ut1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut1 s ALA 39 N -1.30 3.68 -0.03 0.00 0.00 -0.63 -4.56 121.76 118.92 1ut1 s ALA 39 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1ut1 s ALA 39 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1ut1 s ALA 39 CO 0.00 -0.85 1.01 -2.14 0.00 0.00 0.00 175.76 173.78 1ut1 s PRO 40 N -0.44 4.50 -0.15 0.00 0.02 -1.26 -0.29 135.00 137.39 1ut1 s PRO 40 Ca 0.61 1.44 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 1ut1 s PRO 40 Cb -0.44 -3.48 -0.24 0.00 0.02 0.00 0.00 34.50 30.36 1ut1 s PRO 40 CO 0.45 -0.15 0.41 0.82 -0.33 0.00 0.00 177.00 178.20 1ut1 h ILE 41 N 4.87 0.95 0.00 2.83 2.04 -0.85 -3.48 117.51 123.88 1ut1 h ILE 41 Ca -0.38 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1ut1 h ILE 41 Cb 1.20 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1ut1 h ILE 41 CO 0.79 0.59 0.00 0.61 0.00 0.00 0.00 178.15 180.14 1ut1 n GLY 42 N 1.67 0.92 3.92 5.37 0.00 -1.15 -4.99 105.19 110.94 1ut1 n GLY 42 Ca -0.28 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 1ut1 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ut1 s PRO 43 N -2.00 3.55 -0.12 1.61 0.04 -1.26 -1.55 135.00 135.27 1ut1 s PRO 43 Ca 0.00 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 60.86 1ut1 s PRO 43 Cb 0.00 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.92 1ut1 s PRO 43 CO 0.00 0.18 -0.03 0.08 0.04 0.00 0.00 177.00 177.27 1ut1 s VAL 44 N -2.21 0.74 0.27 -0.36 1.01 0.12 -4.97 120.40 115.01 1ut1 s VAL 44 Ca 0.42 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1ut1 s VAL 44 Cb -0.10 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1ut1 s VAL 44 CO 0.34 0.23 0.82 0.42 0.00 0.00 0.00 175.10 176.90 1ut1 s THR 45 N 1.81 4.41 -0.03 3.92 -4.23 -1.26 -0.61 115.64 119.65 1ut1 s THR 45 Ca 0.04 1.53 0.01 0.00 -1.18 0.00 0.00 61.69 62.09 1ut1 s THR 45 Cb -0.13 -3.93 0.01 0.00 1.34 0.00 0.00 72.50 69.79 1ut1 s THR 45 CO -0.07 0.18 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.45 1ut1 s VAL 46 N -1.57 0.49 -0.13 2.29 1.01 -0.43 -4.95 120.40 117.11 1ut1 s VAL 46 Ca 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1ut1 s VAL 46 Cb -0.17 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1ut1 s VAL 46 CO 0.22 0.18 0.10 -1.58 0.00 0.00 0.00 175.10 174.03 1ut1 s GLN 47 N 0.49 0.03 0.10 2.72 2.00 -1.26 -0.80 119.66 122.94 1ut1 s GLN 47 Ca -0.06 0.12 -0.06 0.00 -2.00 0.00 0.00 55.36 53.36 1ut1 s GLN 47 Cb -0.10 -1.30 -0.05 0.00 0.80 0.00 0.00 33.01 32.36 1ut1 s GLN 47 CO -0.00 -0.55 0.35 0.00 -0.50 0.00 0.00 175.29 174.59 1ut1 s ALA 48 N 2.18 3.80 -0.01 1.58 0.00 0.04 -5.00 121.76 124.36 1ut1 s ALA 48 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1ut1 s ALA 48 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1ut1 s ALA 48 CO -0.07 0.66 0.03 -0.51 0.00 0.00 0.00 175.76 175.87 1ut1 s LEU 49 N -2.36 1.89 -0.01 0.00 1.02 -1.26 -4.55 118.68 113.41 1ut1 s LEU 49 Ca 0.37 -0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.51 1ut1 s LEU 49 Cb -0.13 0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.22 1ut1 s LEU 49 CO 0.22 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.14 1ut1 n GLY 50 N 2.83 0.47 1.45 -3.19 0.00 -1.26 -4.94 105.19 100.55 1ut1 n GLY 50 Ca -0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1ut1 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ut1 h ASP 52 N 1.26 0.00 -0.38 0.00 5.19 -1.92 -1.88 116.42 118.68 1ut1 h ASP 52 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1ut1 h ASP 52 Cb 1.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.13 1ut1 h ASP 52 CO 0.59 0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.80 1ut1 n ALA 53 N -2.39 2.58 -2.45 3.45 0.00 -1.26 -3.21 120.51 117.22 1ut1 n ALA 53 Ca -0.02 -1.58 -0.21 0.00 0.00 0.00 0.00 53.44 51.62 1ut1 n ALA 53 Cb 0.18 -0.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1ut1 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ut1 s ARG 54 N -1.69 1.25 -0.39 0.00 1.81 -0.74 -4.92 118.95 114.27 1ut1 s ARG 54 Ca 0.34 -1.40 -0.19 0.00 -1.72 0.00 0.00 55.73 52.77 1ut1 s ARG 54 Cb 0.23 -1.29 0.01 0.00 -0.45 0.00 0.00 34.95 33.45 1ut1 s ARG 54 CO 0.16 0.26 0.53 -0.65 -0.68 0.00 0.00 175.30 174.92 1ut1 s GLN 55 N -2.81 3.43 0.33 3.54 -0.21 -1.26 -1.49 119.66 121.19 1ut1 s GLN 55 Ca 0.15 -0.33 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1ut1 s GLN 55 Cb -0.05 -3.88 -0.12 0.00 1.00 0.00 0.00 33.01 29.96 1ut1 s GLN 55 CO 0.06 -0.78 1.51 0.28 -2.12 0.00 0.00 175.29 174.24 1ut1 n VAL 56 N 5.54 1.51 -3.96 1.09 0.31 -1.26 -1.29 118.33 120.27 1ut1 n VAL 56 Ca -0.04 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 1ut1 n VAL 56 Cb 0.48 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.43 1ut1 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ut1 s ALA 57 N -0.57 0.04 -0.06 3.52 0.00 -0.17 -0.49 121.76 124.04 1ut1 s ALA 57 Ca 0.59 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1ut1 s ALA 57 Cb -0.51 0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1ut1 s ALA 57 CO 0.56 -0.34 -0.12 -0.51 0.00 0.00 0.00 175.76 175.36 1ut1 s LEU 58 N -2.30 1.65 -0.17 0.00 2.01 -0.15 -1.15 118.68 118.57 1ut1 s LEU 58 Ca -0.02 -0.29 -0.02 0.00 0.01 0.00 0.00 54.13 53.81 1ut1 s LEU 58 Cb 0.01 -0.81 -0.01 0.00 0.01 0.00 0.00 46.19 45.39 1ut1 s LEU 58 CO -0.06 0.04 -0.09 -0.75 1.01 0.00 0.00 176.35 176.49 1ut1 s LYS 59 N 0.63 3.39 0.44 1.70 2.20 0.04 -0.31 119.74 127.82 1ut1 s LYS 59 Ca -0.14 -0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 1ut1 s LYS 59 Cb -0.15 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1ut1 s LYS 59 CO 0.03 0.04 1.01 0.00 -0.36 0.00 0.00 175.35 176.08 1ut1 s ALA 60 N 0.81 3.00 0.64 3.13 0.00 -0.13 -0.66 121.76 128.55 1ut1 s ALA 60 Ca -0.03 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 1ut1 s ALA 60 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1ut1 s ALA 60 CO 0.01 -0.14 0.95 -3.47 0.00 0.00 0.00 175.76 173.11 1ut1 n ASP 61 N -0.52 0.65 -0.33 0.00 2.03 -0.44 -4.85 116.55 113.10 1ut1 n ASP 61 Ca 0.07 0.76 0.17 0.00 0.52 0.00 0.00 54.79 56.31 1ut1 n ASP 61 Cb 0.52 -1.39 0.37 0.00 -0.72 0.00 0.00 41.12 39.90 1ut1 n ASP 61 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ut1 h THR 62 N 0.27 0.48 0.00 5.18 2.02 -1.93 0.25 112.91 119.18 1ut1 h THR 62 Ca -0.48 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1ut1 h THR 62 Cb 1.36 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1ut1 h THR 62 CO 0.50 0.09 0.00 0.47 0.37 0.00 0.00 175.52 176.94 1ut1 n ASP 63 N -4.97 0.00 -0.50 4.18 8.00 -1.26 -3.39 116.55 118.62 1ut1 n ASP 63 Ca 0.26 -1.12 0.05 0.00 0.71 0.00 0.00 54.79 54.69 1ut1 n ASP 63 Cb 0.75 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.94 1ut1 n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ut1 n ASN 64 N -0.83 2.40 -3.83 -2.24 3.02 0.89 -4.70 115.26 109.96 1ut1 n ASN 64 Ca 0.13 -1.75 -0.10 0.00 -0.03 0.00 0.00 54.58 52.84 1ut1 n ASN 64 Cb 0.06 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1ut1 n ASN 64 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ut1 s PHE 65 N -0.93 0.06 -0.30 3.10 5.36 -1.22 -1.38 117.98 122.68 1ut1 s PHE 65 Ca 0.17 -0.34 -0.16 0.00 -0.96 0.00 0.00 56.93 55.63 1ut1 s PHE 65 Cb 0.10 -0.02 0.18 0.00 -0.34 0.00 0.00 43.02 42.94 1ut1 s PHE 65 CO 0.13 -0.48 1.15 -2.00 -1.46 0.00 0.00 175.22 172.56 1ut1 s GLU 66 N -3.02 0.17 -0.98 10.12 2.12 -0.37 -4.98 118.70 121.76 1ut1 s GLU 66 Ca -0.02 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 1ut1 s GLU 66 Cb 0.01 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1ut1 s GLU 66 CO -0.06 -0.04 0.83 0.94 -0.54 0.00 0.00 175.26 176.38 1ut1 n GLN 67 N 3.80 -5.53 -0.90 4.30 0.00 -1.26 -2.36 117.38 115.43 1ut1 n GLN 67 Ca -0.14 0.67 0.00 0.00 -0.00 0.00 0.00 57.00 57.53 1ut1 n GLN 67 Cb 0.56 -5.19 0.00 0.00 0.00 0.00 0.00 30.24 25.61 1ut1 n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ut1 n GLY 68 N -1.24 0.36 3.49 1.69 0.00 -1.26 -4.99 105.19 103.24 1ut1 n GLY 68 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1ut1 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ut1 s LYS 69 N -0.78 2.23 0.12 1.61 1.02 -1.00 -5.04 119.74 117.91 1ut1 s LYS 69 Ca 0.00 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.17 1ut1 s LYS 69 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1ut1 s LYS 69 CO 0.00 0.56 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.90 1ut1 s PHE 70 N -0.92 2.85 -0.11 3.18 0.40 -1.26 -1.24 117.98 120.88 1ut1 s PHE 70 Ca 0.15 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.07 1ut1 s PHE 70 Cb -0.11 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.06 1ut1 s PHE 70 CO 0.05 0.48 0.75 -0.59 0.70 0.00 0.00 175.22 176.61 1ut1 s PHE 71 N -1.42 -0.63 0.52 0.36 -0.12 -0.48 -2.03 117.98 114.19 1ut1 s PHE 71 Ca 0.25 1.18 -0.20 0.00 -0.05 0.00 0.00 56.93 58.11 1ut1 s PHE 71 Cb -0.11 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.61 1ut1 s PHE 71 CO 0.17 -0.51 1.10 -0.51 -0.05 0.00 0.00 175.22 175.42 1ut1 s LEU 72 N -0.87 3.79 0.03 -1.99 1.02 -0.31 -4.53 118.68 115.83 1ut1 s LEU 72 Ca -0.07 2.10 0.08 0.00 0.02 0.00 0.00 54.13 56.26 1ut1 s LEU 72 Cb -0.01 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 1ut1 s LEU 72 CO 0.07 -1.07 -0.22 -0.51 0.02 0.00 0.00 176.35 174.64 1ut1 s ILE 73 N -1.83 1.79 0.80 -0.59 1.10 -0.25 -1.14 121.20 121.09 1ut1 s ILE 73 Ca 0.71 -1.19 -0.11 0.00 -0.51 0.00 0.00 60.65 59.55 1ut1 s ILE 73 Cb -0.22 -1.54 0.08 0.00 0.15 0.00 0.00 42.46 40.93 1ut1 s ILE 73 CO 0.25 0.30 1.10 -0.94 -2.11 0.00 0.00 174.94 173.54 1ut1 s SER 74 N -1.05 4.19 0.39 4.50 1.04 -0.14 -0.89 113.70 121.74 1ut1 s SER 74 Ca 0.09 1.81 0.14 0.00 0.48 0.00 0.00 55.95 58.46 1ut1 s SER 74 Cb -0.09 -2.48 0.97 0.00 0.10 0.00 0.00 66.02 64.52 1ut1 s SER 74 CO 0.01 -2.23 1.85 0.44 0.98 0.00 0.00 173.24 174.29 1ut1 h ASP 75 N -1.26 0.52 -0.05 7.02 3.32 -1.47 -0.48 116.42 124.01 1ut1 h ASP 75 Ca -0.44 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1ut1 h ASP 75 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ut1 h ASP 75 CO 0.51 0.22 0.00 -0.46 -1.72 0.00 0.00 179.24 177.79 1ut1 n ASN 76 N -4.56 0.63 0.00 6.45 2.04 -1.26 -4.91 115.26 113.64 1ut1 n ASN 76 Ca 0.19 -1.48 0.00 0.00 -0.44 0.00 0.00 54.58 52.85 1ut1 n ASN 76 Cb 0.62 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 1ut1 n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ut1 n ASN 77 N -0.39 -1.80 -0.09 0.53 4.05 -0.19 -4.90 115.26 112.46 1ut1 n ASN 77 Ca 0.16 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.97 1ut1 n ASN 77 Cb 0.17 -0.99 -0.12 0.00 1.23 0.00 0.00 39.78 40.07 1ut1 n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1ut1 n ARG 78 N -1.95 0.59 -3.59 1.20 0.63 -1.26 -4.83 116.66 107.45 1ut1 n ARG 78 Ca 0.00 0.53 -0.36 0.00 -0.92 0.00 0.00 57.85 57.09 1ut1 n ARG 78 Cb 0.07 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.17 1ut1 n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ut1 s ASP 79 N -6.90 6.40 -0.04 6.15 1.01 -1.26 -4.93 116.67 117.10 1ut1 s ASP 79 Ca -0.28 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.44 1ut1 s ASP 79 Cb 0.06 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1ut1 s ASP 79 CO 0.62 0.14 0.02 -0.54 0.21 0.00 0.00 175.17 175.62 1ut1 s LYS 80 N 0.31 2.96 -0.33 8.23 1.02 -1.26 -0.97 119.74 129.70 1ut1 s LYS 80 Ca 0.15 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1ut1 s LYS 80 Cb -0.13 -2.79 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 1ut1 s LYS 80 CO 0.03 0.67 0.07 -1.17 -0.92 0.00 0.00 175.35 174.03 1ut1 s LEU 81 N -1.29 3.89 0.29 3.17 2.96 -0.29 -4.97 118.68 122.44 1ut1 s LEU 81 Ca 0.17 -1.99 -0.29 0.00 -0.22 0.00 0.00 54.13 51.80 1ut1 s LEU 81 Cb -0.12 -1.36 -0.10 0.00 0.50 0.00 0.00 46.19 45.11 1ut1 s LEU 81 CO 0.07 -0.39 1.33 -0.31 -1.32 0.00 0.00 176.35 175.74 1ut1 s TYR 82 N 1.13 3.08 0.07 5.38 1.51 -1.26 -1.16 117.35 126.10 1ut1 s TYR 82 Ca 0.11 1.30 0.02 0.00 -1.01 0.00 0.00 57.07 57.49 1ut1 s TYR 82 Cb -0.18 -3.70 -0.03 0.00 -0.11 0.00 0.00 41.96 37.94 1ut1 s TYR 82 CO -0.14 -2.03 -0.07 0.14 -1.11 0.00 0.00 175.55 172.34 1ut1 s VAL 83 N -0.70 0.61 -0.06 0.71 -7.23 -0.86 -0.88 120.40 111.99 1ut1 s VAL 83 Ca 0.52 -1.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 1ut1 s VAL 83 Cb -0.40 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1ut1 s VAL 83 CO 0.48 -0.62 0.19 0.20 -0.31 0.00 0.00 175.10 175.04 1ut1 s ASN 84 N -2.29 6.42 -0.19 4.85 0.01 0.63 -4.39 114.94 119.98 1ut1 s ASN 84 Ca 0.01 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 1ut1 s ASN 84 Cb -0.03 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.59 1ut1 s ASN 84 CO -0.02 0.33 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.10 1ut1 s ILE 85 N -1.17 2.29 -0.06 0.60 1.01 -1.26 -1.31 121.20 121.30 1ut1 s ILE 85 Ca 0.21 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1ut1 s ILE 85 Cb -0.13 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.39 1ut1 s ILE 85 CO 0.11 0.50 0.12 -0.60 0.00 0.00 0.00 174.94 175.07 1ut1 s ARG 86 N 1.31 0.03 0.66 2.79 3.52 -0.47 -4.97 118.95 121.82 1ut1 s ARG 86 Ca 0.05 0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 55.87 1ut1 s ARG 86 Cb -0.13 -0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.00 1ut1 s ARG 86 CO -0.11 -0.22 1.16 -1.25 -0.81 0.00 0.00 175.30 174.06 1ut1 s PRO 87 N 1.57 2.69 0.01 5.12 0.04 -1.26 -0.62 135.00 142.55 1ut1 s PRO 87 Ca -0.04 1.61 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1ut1 s PRO 87 Cb -0.12 -1.92 0.74 0.00 0.04 0.00 0.00 34.50 33.25 1ut1 s PRO 87 CO -0.05 -1.37 1.58 0.25 0.04 0.00 0.00 177.00 177.45 1ut1 n THR 88 N -2.23 0.02 -2.07 1.26 -2.24 0.02 -4.83 114.28 104.21 1ut1 n THR 88 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ut1 n THR 88 Cb 0.51 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1ut1 n THR 88 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ut1 n ASP 89 N -1.53 0.00 -1.94 3.42 3.85 -1.26 -5.03 116.55 114.07 1ut1 n ASP 89 Ca 0.06 -0.42 -0.21 0.00 -0.71 0.00 0.00 54.79 53.51 1ut1 n ASP 89 Cb 0.34 0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.26 1ut1 n ASP 89 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1ut1 n ASN 90 N -1.26 4.46 -4.80 -1.12 2.04 -1.26 -5.01 115.26 108.31 1ut1 n ASN 90 Ca 0.00 -3.72 -0.34 0.00 -0.44 0.00 0.00 54.58 50.08 1ut1 n ASN 90 Cb 0.00 -0.77 -0.03 0.00 -2.53 0.00 0.00 39.78 36.45 1ut1 n ASN 90 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1ut1 s SER 91 N -1.99 6.23 -0.17 0.53 1.04 -1.26 -5.03 113.70 113.05 1ut1 s SER 91 Ca 0.55 1.94 -0.08 0.00 0.48 0.00 0.00 55.95 58.84 1ut1 s SER 91 Cb 0.46 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1ut1 s SER 91 CO 0.04 -0.86 0.10 0.00 0.98 0.00 0.00 173.24 173.50 1ut1 s ALA 92 N -2.01 3.59 0.18 5.32 0.00 -1.26 -4.93 121.76 122.65 1ut1 s ALA 92 Ca 0.67 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1ut1 s ALA 92 Cb -0.17 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1ut1 s ALA 92 CO 0.22 0.29 -0.12 -1.58 0.00 0.00 0.00 175.76 174.58 1ut1 s TRP 93 N -0.00 1.52 0.05 0.00 0.52 -1.26 -0.76 118.94 119.00 1ut1 s TRP 93 Ca 0.08 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.59 1ut1 s TRP 93 Cb -0.12 -0.75 -0.03 0.00 -1.15 0.00 0.00 33.47 31.43 1ut1 s TRP 93 CO 0.00 0.22 -0.19 0.99 0.02 0.00 0.00 176.95 177.99 1ut1 s THR 94 N -3.15 1.53 -0.17 2.01 2.01 0.57 -4.88 115.64 113.56 1ut1 s THR 94 Ca 0.21 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 1ut1 s THR 94 Cb 0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1ut1 s THR 94 CO 0.04 0.13 0.00 -0.89 -0.69 0.00 0.00 174.62 173.21 1ut1 s THR 95 N -0.85 4.18 -0.29 -0.82 2.01 -1.26 -0.66 115.64 117.96 1ut1 s THR 95 Ca 0.06 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1ut1 s THR 95 Cb -0.09 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.69 1ut1 s THR 95 CO 0.02 0.47 0.24 -0.62 -0.69 0.00 0.00 174.62 174.04 1ut1 s ASP 96 N 0.47 2.20 -1.22 3.53 3.68 0.53 -4.98 116.67 120.88 1ut1 s ASP 96 Ca -0.01 -0.88 -0.14 0.00 2.13 0.00 0.00 52.55 53.64 1ut1 s ASP 96 Cb -0.14 0.25 -0.01 0.00 -1.45 0.00 0.00 42.92 41.58 1ut1 s ASP 96 CO 0.02 -0.40 0.69 -3.20 0.13 0.00 0.00 175.17 172.41 1ut1 n ASN 97 N 5.29 -3.70 0.00 -0.34 5.15 -1.26 -1.66 115.26 118.74 1ut1 n ASN 97 Ca -0.03 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1ut1 n ASN 97 Cb 0.45 -3.32 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 1ut1 n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ut1 n GLY 98 N -1.76 1.72 3.67 8.20 0.00 -1.26 -5.01 105.19 110.75 1ut1 n GLY 98 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1ut1 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ut1 s VAL 99 N -2.69 4.56 -0.32 1.61 1.01 -0.67 -0.95 120.40 122.95 1ut1 s VAL 99 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1ut1 s VAL 99 Cb 0.00 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1ut1 s VAL 99 CO 0.00 0.55 0.02 0.12 0.00 0.00 0.00 175.10 175.79 1ut1 s PHE 100 N -0.35 3.57 0.15 5.22 5.36 0.58 -0.35 117.98 132.15 1ut1 s PHE 100 Ca 0.08 -2.67 0.10 0.00 -0.96 0.00 0.00 56.93 53.49 1ut1 s PHE 100 Cb -0.12 -2.63 -0.04 0.00 -0.34 0.00 0.00 43.02 39.89 1ut1 s PHE 100 CO 0.02 -0.92 -0.24 1.52 -1.46 0.00 0.00 175.22 174.14 1ut1 s TYR 101 N 1.01 2.16 0.20 10.12 1.13 0.16 -0.97 117.35 131.15 1ut1 s TYR 101 Ca 0.04 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 55.01 1ut1 s TYR 101 Cb -0.20 -1.13 -0.08 0.00 -1.10 0.00 0.00 41.96 39.45 1ut1 s TYR 101 CO -0.06 0.36 1.04 0.21 -2.51 0.00 0.00 175.55 174.59 1ut1 s LYS 102 N -2.28 4.68 0.13 -3.49 2.20 0.36 -0.31 119.74 121.04 1ut1 s LYS 102 Ca 0.15 1.64 0.14 0.00 -0.36 0.00 0.00 55.97 57.53 1ut1 s LYS 102 Cb -0.09 -3.28 0.64 0.00 -1.51 0.00 0.00 37.83 33.59 1ut1 s LYS 102 CO 0.07 0.22 1.42 0.09 -0.36 0.00 0.00 175.35 176.79 1ut1 n ASN 103 N 2.05 0.28 -4.07 1.43 5.03 0.06 -4.63 115.26 115.40 1ut1 n ASN 103 Ca 0.01 0.60 -0.09 0.00 0.87 0.00 0.00 54.58 55.97 1ut1 n ASN 103 Cb 0.47 -0.65 -0.09 0.00 -1.02 0.00 0.00 39.78 38.49 1ut1 n ASN 103 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1ut1 s ASP 104 N -3.52 0.24 0.81 6.41 3.84 -1.26 -5.10 116.67 118.10 1ut1 s ASP 104 Ca 0.02 -1.05 -0.11 0.00 -0.00 0.00 0.00 52.55 51.40 1ut1 s ASP 104 Cb 0.06 0.33 0.08 0.00 -1.38 0.00 0.00 42.92 42.00 1ut1 s ASP 104 CO 0.19 -0.76 1.09 0.68 -0.00 0.00 0.00 175.17 176.37 1ut1 s VAL 105 N -4.00 3.07 0.00 2.11 -7.23 -1.26 -4.50 120.40 108.59 1ut1 s VAL 105 Ca 0.19 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 1ut1 s VAL 105 Cb 0.06 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1ut1 s VAL 105 CO -0.01 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1ut1 n GLY 106 N -1.70 4.44 3.32 2.32 0.00 -0.55 -4.93 105.19 108.09 1ut1 n GLY 106 Ca 0.07 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1ut1 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ut1 n SER 107 N 0.00 4.63 -4.77 1.61 7.64 -1.18 -4.42 113.62 117.13 1ut1 n SER 107 Ca 0.00 -2.90 -0.37 0.00 1.01 0.00 0.00 58.87 56.61 1ut1 n SER 107 Cb 0.00 -1.72 -0.02 0.00 -1.01 0.00 0.00 64.21 61.46 1ut1 n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1ut1 s TRP 108 N 3.84 2.99 0.03 1.43 -0.00 -1.26 -4.59 118.94 121.38 1ut1 s TRP 108 Ca 0.52 1.56 0.05 0.00 -0.00 0.00 0.00 56.10 58.22 1ut1 s TRP 108 Cb 0.07 -3.34 -0.02 0.00 -0.00 0.00 0.00 33.47 30.18 1ut1 s TRP 108 CO 0.03 -1.30 -0.14 0.20 -0.00 0.00 0.00 176.95 175.74 1ut1 s GLY 109 N -1.34 0.74 0.00 5.86 0.00 -1.26 -0.78 107.32 110.53 1ut1 s GLY 109 Ca 0.61 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ut1 s GLY 109 CO 0.34 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1ut1 n GLY 110 N 2.12 -0.94 3.16 0.20 0.00 0.02 -5.00 105.19 104.76 1ut1 n GLY 110 Ca -0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1ut1 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ut1 s ILE 111 N -3.00 1.73 -0.19 -0.61 1.01 -1.26 -1.31 121.20 117.57 1ut1 s ILE 111 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1ut1 s ILE 111 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1ut1 s ILE 111 CO 0.00 0.49 -0.03 -0.63 0.00 0.00 0.00 174.94 174.77 1ut1 s ILE 112 N 0.30 3.73 0.06 2.92 -1.09 0.22 -0.80 121.20 126.54 1ut1 s ILE 112 Ca -0.13 -0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 57.82 1ut1 s ILE 112 Cb -0.16 -2.67 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 1ut1 s ILE 112 CO 0.06 0.45 0.34 -0.83 -1.23 0.00 0.00 174.94 173.73 1ut1 s GLY 113 N 0.87 2.29 -0.17 6.18 0.00 0.21 0.14 107.32 116.85 1ut1 s GLY 113 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1ut1 s GLY 113 CO 0.02 -0.31 -0.19 -0.42 0.00 0.00 0.00 173.10 172.20 1ut1 s ILE 114 N -1.40 2.18 0.05 0.90 -1.09 -0.59 -1.37 121.20 119.88 1ut1 s ILE 114 Ca 0.32 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 1ut1 s ILE 114 Cb -0.13 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 1ut1 s ILE 114 CO 0.18 0.53 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.98 1ut1 s TYR 115 N 1.14 1.16 0.14 3.97 2.02 -0.43 -0.09 117.35 125.26 1ut1 s TYR 115 Ca 0.01 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1ut1 s TYR 115 Cb -0.14 -0.68 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 1ut1 s TYR 115 CO -0.08 0.03 1.72 0.08 -1.57 0.00 0.00 175.55 175.73 1ut1 s VAL 116 N -1.03 2.54 -0.62 0.71 1.01 0.60 -0.27 120.40 123.34 1ut1 s VAL 116 Ca -0.01 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1ut1 s VAL 116 Cb -0.09 -3.13 0.16 0.00 0.00 0.00 0.00 36.38 33.32 1ut1 s VAL 116 CO 0.02 0.01 0.56 -0.62 0.00 0.00 0.00 175.10 175.06 1ut1 s ASP 117 N 2.03 6.26 0.00 3.32 2.15 -0.06 -0.36 116.67 130.02 1ut1 s ASP 117 Ca 0.76 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1ut1 s ASP 117 Cb -0.45 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ut1 s ASP 117 CO 0.34 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1ut1 n GLY 118 N 4.75 -0.56 3.69 2.66 0.00 -1.26 -4.71 105.19 109.76 1ut1 n GLY 118 Ca -0.04 -1.26 -0.44 0.00 0.00 0.00 0.00 46.02 44.28 1ut1 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ut1 n GLN 119 N 1.06 2.42 -2.85 1.61 -0.00 -1.26 -4.48 117.38 113.88 1ut1 n GLN 119 Ca 0.00 0.88 -0.17 0.00 -0.00 0.00 0.00 57.00 57.71 1ut1 n GLN 119 Cb 0.00 -2.69 -0.00 0.00 -0.00 0.00 0.00 30.24 27.55 1ut1 n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1ut1 n GLN 120 N 3.95 1.68 0.00 2.61 6.02 0.11 -4.92 117.38 126.83 1ut1 n GLN 120 Ca 0.17 -3.68 0.04 0.00 -0.01 0.00 0.00 57.00 53.52 1ut1 n GLN 120 Cb 0.32 -1.67 0.23 0.00 1.02 0.00 0.00 30.24 30.13 1ut1 n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ut1 n THR 121 N -0.03 0.00 -0.03 5.09 -2.24 -1.23 -2.66 114.28 113.17 1ut1 n THR 121 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1ut1 n THR 121 Cb 0.69 -0.22 0.13 0.00 -2.10 0.00 0.00 70.33 68.83 1ut1 n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ut1 n ASN 122 N -0.64 2.70 -4.71 3.42 3.02 -1.26 -4.28 115.26 113.50 1ut1 n ASN 122 Ca 0.06 -1.88 -0.43 0.00 -0.03 0.00 0.00 54.58 52.30 1ut1 n ASN 122 Cb 0.03 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1ut1 n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ut1 n THR 123 N 0.53 0.78 -2.02 3.41 -1.04 -1.09 -4.93 114.28 109.92 1ut1 n THR 123 Ca 0.10 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1ut1 n THR 123 Cb 0.39 -1.79 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 1ut1 n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ut1 s PRO 124 N -0.13 4.23 0.36 -2.82 0.02 -1.26 -4.84 135.00 130.55 1ut1 s PRO 124 Ca 0.68 2.31 -0.28 0.00 0.02 0.00 0.00 61.00 63.73 1ut1 s PRO 124 Cb -0.56 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 30.85 1ut1 s PRO 124 CO 0.46 -0.33 1.46 -2.30 -0.33 0.00 0.00 177.00 175.96 1ut1 n PRO 125 N 0.61 2.57 -3.66 5.54 -0.02 -1.26 -4.86 135.00 133.91 1ut1 n PRO 125 Ca 0.01 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1ut1 n PRO 125 Cb 0.41 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1ut1 n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ut1 n GLY 126 N 0.78 -2.01 3.67 -1.23 0.00 -0.60 -4.96 105.19 100.83 1ut1 n GLY 126 Ca 0.03 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1ut1 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ut1 s ASN 127 N -1.23 5.87 0.02 1.61 0.01 -1.26 -0.74 114.94 119.21 1ut1 s ASN 127 Ca 0.00 0.14 0.08 0.00 -0.71 0.00 0.00 52.86 52.37 1ut1 s ASN 127 Cb 0.00 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1ut1 s ASN 127 CO 0.00 0.18 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.22 1ut1 s TYR 128 N 0.36 2.12 0.00 2.20 2.02 0.33 -1.08 117.35 123.30 1ut1 s TYR 128 Ca 0.05 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1ut1 s TYR 128 Cb -0.12 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1ut1 s TYR 128 CO -0.01 0.05 -0.01 0.99 -1.57 0.00 0.00 175.55 175.00 1ut1 s THR 129 N -0.69 0.09 -0.10 -0.71 2.01 -0.06 -1.20 115.64 114.97 1ut1 s THR 129 Ca 0.10 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1ut1 s THR 129 Cb -0.09 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1ut1 s THR 129 CO 0.01 -0.02 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.55 1ut1 s LEU 130 N -0.14 1.73 -0.14 4.42 2.96 0.13 -1.09 118.68 126.54 1ut1 s LEU 130 Ca -0.01 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1ut1 s LEU 130 Cb -0.01 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1ut1 s LEU 130 CO -0.00 0.03 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.96 1ut1 s THR 131 N 0.87 2.15 -0.08 3.68 2.01 -1.26 -0.12 115.64 122.89 1ut1 s THR 131 Ca -0.09 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1ut1 s THR 131 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1ut1 s THR 131 CO 0.00 0.55 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.53 1ut1 s LEU 132 N 0.79 1.91 -0.08 4.42 1.43 -0.16 -1.32 118.68 125.67 1ut1 s LEU 132 Ca -0.07 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1ut1 s LEU 132 Cb -0.16 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1ut1 s LEU 132 CO -0.01 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.65 1ut1 s THR 133 N 0.38 2.95 0.42 5.49 2.01 0.16 -0.77 115.64 126.28 1ut1 s THR 133 Ca -0.14 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1ut1 s THR 133 Cb -0.16 -2.18 -0.11 0.00 0.01 0.00 0.00 72.50 70.06 1ut1 s THR 133 CO 0.06 0.56 0.93 -0.83 -0.69 0.00 0.00 174.62 174.65 1ut1 s GLY 134 N -0.25 2.37 0.00 4.40 0.00 -0.45 -0.78 107.32 112.61 1ut1 s GLY 134 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1ut1 s GLY 134 CO 0.03 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.36 1ut1 n GLY 135 N -0.64 -0.74 3.19 0.20 0.00 -0.30 -1.29 105.19 105.60 1ut1 n GLY 135 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1ut1 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ut1 s TYR 136 N -3.73 0.06 -0.49 1.61 1.13 -0.80 -1.00 117.35 114.13 1ut1 s TYR 136 Ca 0.00 -0.30 -0.15 0.00 -1.41 0.00 0.00 57.07 55.21 1ut1 s TYR 136 Cb 0.00 -0.03 0.09 0.00 -1.10 0.00 0.00 41.96 40.92 1ut1 s TYR 136 CO 0.00 -0.44 0.41 -0.46 -2.51 0.00 0.00 175.55 172.55 1ut1 s TRP 137 N -2.70 3.25 0.00 -3.49 -0.11 -0.41 -0.67 118.94 114.81 1ut1 s TRP 137 Ca -0.04 -1.05 0.00 0.00 1.22 0.00 0.00 56.10 56.23 1ut1 s TRP 137 Cb -0.00 -3.32 0.00 0.00 -1.50 0.00 0.00 33.47 28.65 1ut1 s TRP 137 CO -0.05 -0.86 0.45 0.00 -4.62 0.00 0.00 176.95 171.88