#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 -0.24 -0.07 1.61 1.04 0.71 -4.95 113.70 111.80 1ut1 s SER 1 Ca 0.00 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 1ut1 s SER 1 Cb 0.00 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1ut1 s SER 1 CO 0.00 -0.97 0.38 0.12 0.98 0.00 0.00 173.24 173.75 1ut1 s PHE 2 N -3.85 3.61 -0.27 5.02 2.19 -1.26 -1.85 117.98 121.57 1ut1 s PHE 2 Ca 0.07 0.85 -0.02 0.00 0.33 0.00 0.00 56.93 58.16 1ut1 s PHE 2 Cb 0.00 -2.33 0.03 0.00 -1.31 0.00 0.00 43.02 39.42 1ut1 s PHE 2 CO -0.06 0.46 -0.02 0.99 1.83 0.00 0.00 175.22 178.41 1ut1 s THR 3 N -0.36 3.04 0.16 0.12 2.01 -0.47 -4.98 115.64 115.15 1ut1 s THR 3 Ca 0.22 -1.12 -0.31 0.00 0.31 0.00 0.00 61.69 60.79 1ut1 s THR 3 Cb -0.15 -2.62 -0.10 0.00 0.01 0.00 0.00 72.50 69.63 1ut1 s THR 3 CO 0.10 0.07 1.65 -2.84 -0.69 0.00 0.00 174.62 172.91 1ut1 s PRO 4 N 1.32 4.18 -0.40 4.92 0.02 -1.26 -1.94 135.00 141.84 1ut1 s PRO 4 Ca -0.02 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.45 1ut1 s PRO 4 Cb -0.18 -3.26 0.19 0.00 0.02 0.00 0.00 34.50 31.28 1ut1 s PRO 4 CO -0.02 -0.69 0.85 0.45 -0.33 0.00 0.00 177.00 177.25 1ut1 s SER 5 N 1.54 -0.97 0.00 2.53 0.15 0.05 -4.93 113.70 112.06 1ut1 s SER 5 Ca 0.73 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ut1 s SER 5 Cb -0.45 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1ut1 s SER 5 CO 0.32 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ut1 n GLY 6 N 3.55 -1.31 3.99 9.45 0.00 -1.13 -3.65 105.19 116.10 1ut1 n GLY 6 Ca 0.11 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.97 2.59 -0.11 2.61 -4.23 -1.26 -4.63 115.64 107.64 1ut1 s THR 7 Ca 0.00 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1ut1 s THR 7 Cb 0.00 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 1ut1 s THR 7 CO 0.00 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.02 1ut1 s THR 8 N -2.50 2.72 -0.13 3.99 2.01 -1.26 -1.21 115.64 119.26 1ut1 s THR 8 Ca 0.55 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1ut1 s THR 8 Cb -0.07 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1ut1 s THR 8 CO 0.33 0.54 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.93 1ut1 s GLY 9 N 0.18 1.72 -0.16 4.40 0.00 0.12 -4.95 107.32 108.62 1ut1 s GLY 9 Ca -0.10 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 1ut1 s GLY 9 CO 0.06 -0.22 -0.07 -1.59 0.00 0.00 0.00 173.10 171.28 1ut1 s THR 10 N 0.06 3.47 -0.25 0.90 2.01 -1.26 -0.99 115.64 119.58 1ut1 s THR 10 Ca -0.00 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1ut1 s THR 10 Cb -0.13 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1ut1 s THR 10 CO 0.03 0.49 0.03 -0.89 -0.69 0.00 0.00 174.62 173.58 1ut1 s THR 11 N 0.63 3.87 0.15 -0.82 2.01 0.71 -4.97 115.64 117.22 1ut1 s THR 11 Ca -0.04 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1ut1 s THR 11 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1ut1 s THR 11 CO 0.03 0.31 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.53 1ut1 s LYS 12 N 1.54 1.72 -0.18 4.92 1.02 -1.26 -0.54 119.74 126.96 1ut1 s LYS 12 Ca 0.05 -1.30 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 1ut1 s LYS 12 Cb -0.15 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.18 1ut1 s LYS 12 CO 0.01 0.45 0.44 -1.17 -0.92 0.00 0.00 175.35 174.16 1ut1 s LEU 13 N -2.37 -0.05 -0.23 3.17 2.96 -0.36 -4.74 118.68 117.06 1ut1 s LEU 13 Ca 0.19 0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1ut1 s LEU 13 Cb -0.10 1.48 -0.04 0.00 0.50 0.00 0.00 46.19 48.03 1ut1 s LEU 13 CO 0.10 -0.19 0.10 -0.89 -1.32 0.00 0.00 176.35 174.16 1ut1 s THR 14 N 1.09 4.84 -0.16 3.68 2.01 -0.48 -0.73 115.64 125.89 1ut1 s THR 14 Ca -0.07 -0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1ut1 s THR 14 Cb -0.07 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1ut1 s THR 14 CO -0.10 0.37 0.22 -0.69 -0.69 0.00 0.00 174.62 173.74 1ut1 s VAL 15 N 1.04 5.35 0.47 3.82 1.01 -0.10 -0.67 120.40 131.33 1ut1 s VAL 15 Ca 0.05 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1ut1 s VAL 15 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1ut1 s VAL 15 CO 0.04 0.44 0.06 0.42 0.00 0.00 0.00 175.10 176.05 1ut1 s THR 16 N 0.19 0.91 0.75 3.92 -4.23 0.03 -1.56 115.64 115.66 1ut1 s THR 16 Ca 0.14 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.60 1ut1 s THR 16 Cb -0.12 -2.22 0.16 0.00 1.34 0.00 0.00 72.50 71.66 1ut1 s THR 16 CO 0.02 0.00 1.02 -0.62 -0.54 0.00 0.00 174.62 174.51 1ut1 n GLU 17 N -1.13 -0.39 -0.23 3.99 -0.58 -1.26 -0.61 120.64 120.42 1ut1 n GLU 17 Ca -0.14 -2.37 -0.03 0.00 -0.42 0.00 0.00 57.16 54.19 1ut1 n GLU 17 Cb 0.66 -0.81 0.08 0.00 -0.57 0.00 0.00 31.44 30.80 1ut1 n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ut1 h LYS 18 N 0.00 0.75 -6.26 3.49 3.64 -1.98 -3.34 116.57 112.87 1ut1 h LYS 18 Ca -0.34 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.41 1ut1 h LYS 18 Cb 1.14 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.69 1ut1 h LYS 18 CO 0.32 0.50 0.66 0.00 -2.27 0.00 0.00 179.45 178.65 1ut1 s GLN 20 N 3.93 2.53 -0.33 0.00 0.74 -1.25 -5.07 119.66 120.20 1ut1 s GLN 20 Ca 0.39 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 55.13 1ut1 s GLN 20 Cb -0.10 -2.12 0.08 0.00 1.10 0.00 0.00 33.01 31.97 1ut1 s GLN 20 CO 0.27 -0.07 0.05 0.08 -0.55 0.00 0.00 175.29 175.07 1ut1 s VAL 21 N 1.00 2.83 -0.01 1.34 1.01 -1.26 -5.08 120.40 120.22 1ut1 s VAL 21 Ca -0.05 -1.79 -0.28 0.00 0.00 0.00 0.00 61.98 59.87 1ut1 s VAL 21 Cb -0.15 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ut1 s VAL 21 CO -0.03 -0.35 0.89 -0.13 0.00 0.00 0.00 175.10 175.48 1ut1 s ARG 22 N 1.14 4.53 -0.09 2.72 0.52 -1.26 -5.04 118.95 121.46 1ut1 s ARG 22 Ca 0.01 1.26 0.01 0.00 -0.52 0.00 0.00 55.73 56.49 1ut1 s ARG 22 Cb -0.20 -3.45 0.02 0.00 0.52 0.00 0.00 34.95 31.83 1ut1 s ARG 22 CO -0.04 0.00 -0.11 0.08 0.02 0.00 0.00 175.30 175.25 1ut1 s VAL 23 N 0.87 1.20 0.00 3.52 1.01 -1.26 -5.07 120.40 120.67 1ut1 s VAL 23 Ca 0.47 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ut1 s VAL 23 Cb -0.20 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1ut1 s VAL 23 CO 0.25 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1ut1 n GLY 24 N 4.31 -1.11 3.72 4.51 0.00 -1.26 -4.92 105.19 110.45 1ut1 n GLY 24 Ca -0.18 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1ut1 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ut1 n ASP 25 N 0.24 1.95 -4.76 1.61 10.43 -1.26 -4.93 116.55 119.82 1ut1 n ASP 25 Ca 0.00 0.80 -0.41 0.00 2.57 0.00 0.00 54.79 57.75 1ut1 n ASP 25 Cb 0.00 -1.55 -0.01 0.00 1.84 0.00 0.00 41.12 41.40 1ut1 n ASP 25 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ut1 s LEU 26 N -4.52 4.35 0.14 0.64 1.43 -1.26 -5.02 118.68 114.44 1ut1 s LEU 26 Ca 0.82 2.90 -0.02 0.00 -1.03 0.00 0.00 54.13 56.80 1ut1 s LEU 26 Cb -0.37 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 1ut1 s LEU 26 CO 0.41 -0.80 0.09 0.42 0.23 0.00 0.00 176.35 176.70 1ut1 s THR 27 N -0.62 0.10 -0.22 5.49 -4.23 -1.26 -5.12 115.64 109.78 1ut1 s THR 27 Ca 0.56 -1.84 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1ut1 s THR 27 Cb -0.45 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1ut1 s THR 27 CO 0.54 -0.44 1.53 -0.69 -0.54 0.00 0.00 174.62 175.02 1ut1 s VAL 28 N -4.04 3.81 0.04 2.29 1.01 -1.26 -4.98 120.40 117.27 1ut1 s VAL 28 Ca 0.23 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1ut1 s VAL 28 Cb 0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ut1 s VAL 28 CO 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 175.10 174.74 1ut1 s ALA 29 N 4.88 0.49 0.02 5.51 0.00 -1.26 -1.39 121.76 130.00 1ut1 s ALA 29 Ca 0.68 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 1ut1 s ALA 29 Cb -0.23 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1ut1 s ALA 29 CO 0.27 -0.07 0.09 0.15 0.00 0.00 0.00 175.76 176.21 1ut1 s LYS 30 N -1.71 0.48 0.65 0.00 1.02 0.16 -4.93 119.74 115.41 1ut1 s LYS 30 Ca -0.10 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 1ut1 s LYS 30 Cb -0.09 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1ut1 s LYS 30 CO -0.00 -0.11 1.05 0.95 -0.92 0.00 0.00 175.35 176.31 1ut1 s THR 31 N -1.71 4.24 0.47 2.17 -4.23 -1.26 -0.79 115.64 114.53 1ut1 s THR 31 Ca -0.13 0.77 0.21 0.00 -1.18 0.00 0.00 61.69 61.37 1ut1 s THR 31 Cb -0.06 -3.56 0.25 0.00 1.34 0.00 0.00 72.50 70.47 1ut1 s THR 31 CO -0.00 -0.91 2.07 0.08 -0.54 0.00 0.00 174.62 175.32 1ut1 h ARG 32 N -0.40 0.00 0.00 3.99 0.11 -1.15 -1.13 114.38 115.80 1ut1 h ARG 32 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 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 0.12 0.00 0.78 0.10 0.00 0.00 179.97 181.55 1ut1 h GLY 33 N 0.48 0.00 0.97 0.08 0.00 -1.85 -0.73 103.07 102.03 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 0.02 0.00 -0.07 -1.06 0.00 0.00 0.00 176.54 175.43 1ut1 n GLN 34 N -3.02 0.74 -1.52 4.80 6.02 -0.43 -4.40 117.38 119.58 1ut1 n GLN 34 Ca -0.00 -0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 56.47 1ut1 n GLN 34 Cb 0.23 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 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 -0.96 7.39 -4.89 1.08 4.77 -0.28 -4.84 117.00 119.27 1ut1 n LEU 35 Ca 0.16 -4.26 -0.29 0.00 -0.03 0.00 0.00 56.01 51.59 1ut1 n LEU 35 Cb 0.25 -1.40 0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1ut1 n LEU 35 CO 0.22 1.93 0.70 0.42 -1.33 0.00 0.00 177.39 179.33 1ut1 s THR 36 N -0.10 3.33 0.12 -5.08 -4.23 -1.26 -0.97 115.64 107.45 1ut1 s THR 36 Ca 0.62 0.30 -0.33 0.00 -1.18 0.00 0.00 61.69 61.09 1ut1 s THR 36 Cb 0.25 -3.41 -0.13 0.00 1.34 0.00 0.00 72.50 70.56 1ut1 s THR 36 CO -0.10 -0.51 1.69 -0.67 -0.54 0.00 0.00 174.62 174.49 1ut1 n ASP 37 N -2.94 3.42 0.00 3.99 4.64 -1.26 -1.49 116.55 122.91 1ut1 n ASP 37 Ca 0.07 1.05 0.00 0.00 -1.38 0.00 0.00 54.79 54.52 1ut1 n ASP 37 Cb 0.58 -1.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.20 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 4.33 0.00 -1.73 -1.67 0.00 0.07 -4.95 120.51 116.57 1ut1 n ALA 38 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 1ut1 n ALA 38 Cb 0.31 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 1ut1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut1 n ALA 39 N 1.00 2.50 -1.85 0.00 0.00 -0.55 -4.52 120.51 117.09 1ut1 n ALA 39 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1ut1 n ALA 39 Cb 0.10 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 1ut1 n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ut1 s PRO 40 N 0.22 4.58 -0.24 0.00 0.04 -1.26 -0.34 135.00 138.00 1ut1 s PRO 40 Ca 0.69 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 1ut1 s PRO 40 Cb -0.52 -3.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.65 1ut1 s PRO 40 CO 0.42 0.11 -0.12 -0.89 0.04 0.00 0.00 177.00 176.55 1ut1 n ILE 41 N 1.53 1.55 0.00 0.56 5.41 0.11 -4.90 119.36 123.62 1ut1 n ILE 41 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1ut1 n ILE 41 Cb 0.45 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1ut1 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ut1 n GLY 42 N 1.88 1.07 3.92 7.39 0.00 -1.16 -5.00 105.19 113.29 1ut1 n GLY 42 Ca -0.45 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 3.56 -0.16 1.61 0.04 -1.26 -1.35 135.00 135.43 1ut1 s PRO 43 Ca 0.00 -0.01 -0.03 0.00 0.04 0.00 0.00 61.00 61.00 1ut1 s PRO 43 Cb 0.00 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 32.06 1ut1 s PRO 43 CO 0.00 0.02 0.03 0.08 0.04 0.00 0.00 177.00 177.17 1ut1 s VAL 44 N -2.43 0.44 0.23 -0.36 1.01 0.13 -4.96 120.40 114.46 1ut1 s VAL 44 Ca 0.44 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1ut1 s VAL 44 Cb -0.10 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 1ut1 s VAL 44 CO 0.38 -0.11 1.11 -0.89 0.00 0.00 0.00 175.10 175.59 1ut1 s THR 45 N 1.91 3.66 -0.07 3.92 2.01 -1.26 -0.75 115.64 125.05 1ut1 s THR 45 Ca 0.01 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.54 1ut1 s THR 45 Cb -0.16 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1ut1 s THR 45 CO -0.07 0.31 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 1ut1 s VAL 46 N -0.64 0.76 -0.10 3.82 1.01 -0.54 -4.94 120.40 119.77 1ut1 s VAL 46 Ca 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1ut1 s VAL 46 Cb -0.31 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1ut1 s VAL 46 CO 0.38 0.30 -0.01 -1.58 0.00 0.00 0.00 175.10 174.18 1ut1 s GLN 47 N 1.28 0.83 0.09 2.72 2.00 -1.26 -0.48 119.66 124.83 1ut1 s GLN 47 Ca -0.04 -0.04 0.01 0.00 -2.00 0.00 0.00 55.36 53.29 1ut1 s GLN 47 Cb -0.14 -1.25 -0.04 0.00 0.80 0.00 0.00 33.01 32.39 1ut1 s GLN 47 CO -0.02 -0.33 0.21 0.00 -0.50 0.00 0.00 175.29 174.64 1ut1 s ALA 48 N 1.90 3.92 -0.06 1.58 0.00 0.01 -5.01 121.76 124.10 1ut1 s ALA 48 Ca 0.04 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1ut1 s ALA 48 Cb -0.13 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1ut1 s ALA 48 CO -0.06 0.74 0.24 -0.51 0.00 0.00 0.00 175.76 176.17 1ut1 s LEU 49 N -2.68 1.09 -0.43 0.00 1.43 -1.26 -4.56 118.68 112.27 1ut1 s LEU 49 Ca 0.34 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1ut1 s LEU 49 Cb -0.12 0.93 0.00 0.00 0.03 0.00 0.00 46.19 47.02 1ut1 s LEU 49 CO 0.27 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1ut1 n GLY 50 N 2.25 0.69 0.95 -3.19 0.00 -1.26 -4.92 105.19 99.72 1ut1 n GLY 50 Ca -0.17 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 1.41 0.00 -0.19 0.00 5.19 -1.91 -0.93 116.42 119.99 1ut1 h ASP 52 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1ut1 h ASP 52 Cb 1.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1ut1 h ASP 52 CO 0.28 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.40 1ut1 n ALA 53 N -2.40 2.35 -2.41 3.45 0.00 -1.26 -3.38 120.51 116.86 1ut1 n ALA 53 Ca 0.08 -1.63 -0.21 0.00 0.00 0.00 0.00 53.44 51.68 1ut1 n ALA 53 Cb 0.62 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.75 1.50 -0.35 0.00 1.81 -0.41 -4.89 118.95 114.87 1ut1 s ARG 54 Ca 0.24 -1.73 -0.18 0.00 -1.72 0.00 0.00 55.73 52.33 1ut1 s ARG 54 Cb 0.17 -1.16 -0.00 0.00 -0.45 0.00 0.00 34.95 33.51 1ut1 s ARG 54 CO 0.08 0.08 0.51 -0.65 -0.68 0.00 0.00 175.30 174.65 1ut1 s GLN 55 N -3.70 3.63 0.33 3.54 -0.21 -1.24 -0.94 119.66 121.07 1ut1 s GLN 55 Ca 0.28 -0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 1ut1 s GLN 55 Cb 0.02 -3.80 -0.12 0.00 1.00 0.00 0.00 33.01 30.11 1ut1 s GLN 55 CO 0.11 -0.63 1.47 0.28 -2.12 0.00 0.00 175.29 174.39 1ut1 n VAL 56 N 5.42 1.57 -3.96 1.09 0.31 -1.26 0.30 118.33 121.79 1ut1 n VAL 56 Ca -0.05 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.80 1ut1 n VAL 56 Cb 0.49 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.64 0.06 -0.08 3.52 0.00 0.26 -0.89 121.76 123.99 1ut1 s ALA 57 Ca 0.59 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1ut1 s ALA 57 Cb -0.52 0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1ut1 s ALA 57 CO 0.57 -0.32 -0.18 -0.51 0.00 0.00 0.00 175.76 175.32 1ut1 s LEU 58 N -2.23 1.88 -0.18 0.00 1.43 -0.12 -1.21 118.68 118.25 1ut1 s LEU 58 Ca -0.04 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1ut1 s LEU 58 Cb -0.00 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 1ut1 s LEU 58 CO -0.05 0.11 -0.08 -0.75 0.23 0.00 0.00 176.35 175.80 1ut1 s LYS 59 N 0.45 3.40 0.49 1.70 2.20 0.00 -0.63 119.74 127.35 1ut1 s LYS 59 Ca -0.16 -0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 54.62 1ut1 s LYS 59 Cb -0.16 -2.86 -0.08 0.00 -1.51 0.00 0.00 37.83 33.22 1ut1 s LYS 59 CO 0.06 -0.01 1.01 0.00 -0.36 0.00 0.00 175.35 176.06 1ut1 s ALA 60 N 0.96 2.92 0.81 3.13 0.00 0.13 -0.94 121.76 128.77 1ut1 s ALA 60 Ca -0.01 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1ut1 s ALA 60 Cb -0.15 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1ut1 s ALA 60 CO -0.00 -0.25 0.99 -0.25 0.00 0.00 0.00 175.76 176.25 1ut1 n ASP 61 N -1.07 0.28 -0.02 0.00 9.92 -0.44 -4.85 116.55 120.37 1ut1 n ASP 61 Ca 0.08 0.55 0.14 0.00 -0.53 0.00 0.00 54.79 55.04 1ut1 n ASP 61 Cb 0.53 -1.42 0.58 0.00 -0.64 0.00 0.00 41.12 40.16 1ut1 n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ut1 h THR 62 N -0.91 0.86 -0.00 -3.53 1.03 -1.94 -0.03 112.91 108.38 1ut1 h THR 62 Ca -0.46 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1ut1 h THR 62 Cb 1.30 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1ut1 h THR 62 CO 0.44 0.04 0.00 0.47 -0.01 0.00 0.00 175.52 176.46 1ut1 n ASP 63 N -4.45 0.12 -0.65 0.00 8.00 -1.26 -3.59 116.55 114.72 1ut1 n ASP 63 Ca 0.08 -1.11 0.06 0.00 0.71 0.00 0.00 54.79 54.54 1ut1 n ASP 63 Cb 0.41 -0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.87 2.69 -3.86 -2.24 3.02 -0.02 -4.71 115.26 109.27 1ut1 n ASN 64 Ca 0.22 -1.83 -0.11 0.00 -0.03 0.00 0.00 54.58 52.84 1ut1 n ASN 64 Cb 0.12 -0.17 -0.09 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 -1.02 0.06 -0.28 3.10 5.36 -1.24 -1.43 117.98 122.53 1ut1 s PHE 65 Ca 0.22 -0.23 -0.23 0.00 -0.96 0.00 0.00 56.93 55.73 1ut1 s PHE 65 Cb 0.13 -0.05 0.09 0.00 -0.34 0.00 0.00 43.02 42.85 1ut1 s PHE 65 CO 0.17 -0.37 0.80 -2.00 -1.46 0.00 0.00 175.22 172.37 1ut1 s GLU 66 N -2.09 0.72 -1.34 10.12 2.56 0.04 -4.99 118.70 123.73 1ut1 s GLU 66 Ca -0.09 0.92 -0.09 0.00 0.00 0.00 0.00 54.97 55.71 1ut1 s GLU 66 Cb -0.04 0.32 0.06 0.00 2.00 0.00 0.00 34.13 36.48 1ut1 s GLU 66 CO -0.02 -0.10 0.52 0.94 -0.56 0.00 0.00 175.26 176.05 1ut1 n GLN 67 N 2.83 -3.67 -0.98 4.30 7.27 -1.26 0.17 117.38 126.05 1ut1 n GLN 67 Ca -0.15 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.46 1ut1 n GLN 67 Cb 0.56 -5.28 0.00 0.00 2.41 0.00 0.00 30.24 27.93 1ut1 n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ut1 n GLY 68 N -1.24 0.56 3.78 1.69 0.00 -1.26 -5.02 105.19 103.70 1ut1 n GLY 68 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 3.16 0.14 1.61 1.02 0.46 -5.02 119.74 120.87 1ut1 s LYS 69 Ca 0.00 -0.34 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1ut1 s LYS 69 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1ut1 s LYS 69 CO 0.00 0.71 0.03 -0.06 -0.92 0.00 0.00 175.35 175.11 1ut1 s PHE 70 N -1.03 2.96 -0.20 3.18 0.40 -1.26 -0.78 117.98 121.24 1ut1 s PHE 70 Ca 0.17 -0.07 -0.27 0.00 -0.60 0.00 0.00 56.93 56.15 1ut1 s PHE 70 Cb -0.12 -1.46 0.09 0.00 0.51 0.00 0.00 43.02 42.04 1ut1 s PHE 70 CO 0.07 0.50 0.80 -0.59 0.70 0.00 0.00 175.22 176.70 1ut1 s PHE 71 N -1.59 -0.65 0.55 0.36 -0.12 -0.51 -1.52 117.98 114.50 1ut1 s PHE 71 Ca 0.28 1.41 -0.19 0.00 -0.05 0.00 0.00 56.93 58.37 1ut1 s PHE 71 Cb -0.10 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1ut1 s PHE 71 CO 0.19 -0.41 1.13 -0.51 -0.05 0.00 0.00 175.22 175.58 1ut1 s LEU 72 N -0.26 3.73 0.06 -1.99 1.02 -0.25 -4.51 118.68 116.47 1ut1 s LEU 72 Ca -0.03 2.18 0.08 0.00 0.02 0.00 0.00 54.13 56.39 1ut1 s LEU 72 Cb -0.03 -4.58 -0.03 0.00 0.02 0.00 0.00 46.19 41.57 1ut1 s LEU 72 CO 0.02 -1.26 -0.23 -0.51 0.02 0.00 0.00 176.35 174.39 1ut1 s ILE 73 N -1.78 1.83 0.86 -0.59 1.10 -0.41 -1.14 121.20 121.06 1ut1 s ILE 73 Ca 0.73 -1.32 -0.11 0.00 -0.51 0.00 0.00 60.65 59.44 1ut1 s ILE 73 Cb -0.24 -1.59 0.11 0.00 0.15 0.00 0.00 42.46 40.88 1ut1 s ILE 73 CO 0.28 0.21 1.09 -0.94 -2.11 0.00 0.00 174.94 173.47 1ut1 s SER 74 N -1.32 3.82 0.36 4.50 1.04 -0.36 -0.93 113.70 120.81 1ut1 s SER 74 Ca 0.09 1.46 0.07 0.00 0.48 0.00 0.00 55.95 58.04 1ut1 s SER 74 Cb -0.09 -2.15 0.76 0.00 0.10 0.00 0.00 66.02 64.63 1ut1 s SER 74 CO 0.02 -2.42 1.92 0.44 0.98 0.00 0.00 173.24 174.19 1ut1 h ASP 75 N -1.40 0.67 -0.02 7.02 3.32 -1.56 -0.57 116.42 123.89 1ut1 h ASP 75 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1ut1 h ASP 75 Cb 1.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1ut1 h ASP 75 CO 0.56 0.40 0.00 -0.46 -1.72 0.00 0.00 179.24 178.02 1ut1 n ASN 76 N -4.51 0.51 -0.24 6.45 2.04 -1.26 -4.93 115.26 113.32 1ut1 n ASN 76 Ca 0.14 -1.27 -0.03 0.00 -0.44 0.00 0.00 54.58 52.97 1ut1 n ASN 76 Cb 0.33 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.55 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 -0.56 -3.76 -0.10 0.53 4.05 -0.22 -4.92 115.26 110.28 1ut1 n ASN 77 Ca 0.20 0.08 -0.15 0.00 0.45 0.00 0.00 54.58 55.16 1ut1 n ASN 77 Cb 0.18 -1.54 -0.08 0.00 1.23 0.00 0.00 39.78 39.56 1ut1 n ASN 77 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ut1 n ARG 78 N -2.40 0.47 -3.63 1.20 1.74 -1.26 -4.91 116.66 107.86 1ut1 n ARG 78 Ca -0.03 0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 1ut1 n ARG 78 Cb 0.17 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.19 1ut1 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ut1 s ASP 79 N -6.07 6.33 0.01 0.55 1.01 -1.26 -4.96 116.67 112.27 1ut1 s ASP 79 Ca -0.26 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.39 1ut1 s ASP 79 Cb 0.08 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1ut1 s ASP 79 CO 0.42 0.14 -0.01 -0.54 0.21 0.00 0.00 175.17 175.39 1ut1 s LYS 80 N 0.39 2.72 -0.32 8.23 1.02 -1.26 -1.22 119.74 129.30 1ut1 s LYS 80 Ca 0.12 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1ut1 s LYS 80 Cb -0.12 -2.62 0.10 0.00 -0.52 0.00 0.00 37.83 34.66 1ut1 s LYS 80 CO 0.01 0.61 0.06 -1.17 -0.92 0.00 0.00 175.35 173.94 1ut1 s LEU 81 N -1.58 3.77 0.27 3.17 2.96 -0.30 -4.98 118.68 121.99 1ut1 s LEU 81 Ca 0.19 -1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 51.90 1ut1 s LEU 81 Cb -0.11 -1.35 -0.10 0.00 0.50 0.00 0.00 46.19 45.13 1ut1 s LEU 81 CO 0.10 -0.38 1.38 -0.31 -1.32 0.00 0.00 176.35 175.82 1ut1 s TYR 82 N 1.17 3.06 0.10 5.38 1.51 -1.26 -1.09 117.35 126.23 1ut1 s TYR 82 Ca 0.09 1.18 0.04 0.00 -1.01 0.00 0.00 57.07 57.36 1ut1 s TYR 82 Cb -0.18 -3.74 -0.04 0.00 -0.11 0.00 0.00 41.96 37.88 1ut1 s TYR 82 CO -0.14 -2.30 -0.10 0.14 -1.11 0.00 0.00 175.55 172.05 1ut1 s VAL 83 N -0.33 0.93 -0.06 0.71 -7.23 -0.58 -0.85 120.40 112.99 1ut1 s VAL 83 Ca 0.56 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1ut1 s VAL 83 Cb -0.40 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1ut1 s VAL 83 CO 0.45 -0.63 0.12 0.20 -0.31 0.00 0.00 175.10 174.94 1ut1 s ASN 84 N -2.62 6.12 -0.15 4.85 0.01 0.37 -4.28 114.94 119.23 1ut1 s ASN 84 Ca 0.08 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1ut1 s ASN 84 Cb -0.01 -1.90 -0.00 0.00 0.41 0.00 0.00 41.25 39.75 1ut1 s ASN 84 CO -0.01 0.34 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.14 1ut1 s ILE 85 N -1.12 2.65 -0.11 0.60 1.01 -1.26 -1.31 121.20 121.65 1ut1 s ILE 85 Ca 0.20 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1ut1 s ILE 85 Cb -0.12 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1ut1 s ILE 85 CO 0.10 0.52 0.25 -0.60 0.00 0.00 0.00 174.94 175.20 1ut1 s ARG 86 N 0.77 0.19 0.57 2.79 3.52 -0.55 -4.98 118.95 121.27 1ut1 s ARG 86 Ca -0.06 0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 55.94 1ut1 s ARG 86 Cb -0.15 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 1ut1 s ARG 86 CO 0.00 -0.20 1.18 -1.25 -0.81 0.00 0.00 175.30 174.23 1ut1 s PRO 87 N 1.57 3.11 0.10 5.12 0.04 -1.26 -0.89 135.00 142.79 1ut1 s PRO 87 Ca -0.06 1.76 0.27 0.00 0.04 0.00 0.00 61.00 63.00 1ut1 s PRO 87 Cb -0.11 -1.96 0.95 0.00 0.04 0.00 0.00 34.50 33.43 1ut1 s PRO 87 CO -0.09 -1.08 1.79 0.25 0.04 0.00 0.00 177.00 177.92 1ut1 n THR 88 N -1.48 0.28 0.28 1.26 -2.24 -0.30 -2.97 114.28 109.10 1ut1 n THR 88 Ca 0.13 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1ut1 n THR 88 Cb 0.50 -0.47 0.27 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.87 3.13 -2.71 3.42 3.85 -1.26 -4.94 116.55 116.18 1ut1 n ASP 89 Ca 0.06 -1.96 -0.14 0.00 -0.71 0.00 0.00 54.79 52.04 1ut1 n ASP 89 Cb 0.38 -0.33 -0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1ut1 n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1ut1 n ASN 90 N 1.23 -3.60 -4.73 -1.12 4.13 -1.16 -4.97 115.26 105.04 1ut1 n ASN 90 Ca 0.20 0.06 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 1ut1 n ASN 90 Cb 0.52 -3.05 0.12 0.00 -1.54 0.00 0.00 39.78 35.83 1ut1 n ASN 90 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ut1 s SER 91 N -2.23 3.85 -0.08 6.41 1.04 -1.26 -4.99 113.70 116.44 1ut1 s SER 91 Ca 0.11 1.72 -0.22 0.00 0.48 0.00 0.00 55.95 58.04 1ut1 s SER 91 Cb -0.06 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1ut1 s SER 91 CO 0.14 -2.43 0.66 0.00 0.98 0.00 0.00 173.24 172.59 1ut1 s ALA 92 N -2.88 3.37 0.14 5.32 0.00 -1.26 -4.84 121.76 121.61 1ut1 s ALA 92 Ca 0.63 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1ut1 s ALA 92 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1ut1 s ALA 92 CO 0.57 -0.12 -0.07 -1.58 0.00 0.00 0.00 175.76 174.55 1ut1 s TRP 93 N 0.86 1.14 0.08 0.00 0.52 -1.26 -1.10 118.94 119.18 1ut1 s TRP 93 Ca 0.35 -0.85 0.08 0.00 0.02 0.00 0.00 56.10 55.70 1ut1 s TRP 93 Cb -0.17 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 1ut1 s TRP 93 CO 0.16 -0.04 -0.20 0.99 0.02 0.00 0.00 176.95 177.88 1ut1 s THR 94 N -3.47 1.64 -0.14 2.01 2.01 0.13 -4.85 115.64 112.96 1ut1 s THR 94 Ca 0.16 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 1ut1 s THR 94 Cb 0.04 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1ut1 s THR 94 CO -0.01 0.03 0.00 -0.89 -0.69 0.00 0.00 174.62 173.07 1ut1 s THR 95 N -1.02 4.29 -0.33 -0.82 2.01 -1.26 -1.01 115.64 117.51 1ut1 s THR 95 Ca 0.06 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1ut1 s THR 95 Cb -0.09 -2.87 0.14 0.00 0.01 0.00 0.00 72.50 69.68 1ut1 s THR 95 CO 0.03 0.51 0.30 -0.62 -0.69 0.00 0.00 174.62 174.15 1ut1 s ASP 96 N 0.02 1.84 -1.17 3.53 3.68 0.68 -4.98 116.67 120.26 1ut1 s ASP 96 Ca 0.03 -1.29 -0.11 0.00 2.13 0.00 0.00 52.55 53.31 1ut1 s ASP 96 Cb -0.13 0.33 -0.02 0.00 -1.45 0.00 0.00 42.92 41.65 1ut1 s ASP 96 CO 0.02 -0.34 0.78 -3.20 0.13 0.00 0.00 175.17 172.57 1ut1 n ASN 97 N 4.76 -4.25 0.00 -0.34 5.15 -1.26 -1.85 115.26 117.47 1ut1 n ASN 97 Ca 0.04 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 1ut1 n ASN 97 Cb 0.44 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 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 -1.55 1.36 3.61 8.20 0.00 -1.26 -5.01 105.19 110.53 1ut1 n GLY 98 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.35 4.51 -0.40 1.61 1.01 -0.77 -0.69 120.40 123.30 1ut1 s VAL 99 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ut1 s VAL 99 Cb 0.00 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.49 1ut1 s VAL 99 CO 0.00 0.49 0.19 0.12 0.00 0.00 0.00 175.10 175.90 1ut1 s PHE 100 N 0.18 3.61 0.08 5.22 5.36 0.20 -0.23 117.98 132.39 1ut1 s PHE 100 Ca 0.02 -2.49 0.08 0.00 -0.96 0.00 0.00 56.93 53.59 1ut1 s PHE 100 Cb -0.13 -3.19 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1ut1 s PHE 100 CO 0.01 -0.97 -0.19 1.52 -1.46 0.00 0.00 175.22 174.14 1ut1 s TYR 101 N 1.11 2.53 0.11 10.12 1.13 -0.18 -0.94 117.35 131.22 1ut1 s TYR 101 Ca 0.09 -0.27 -0.30 0.00 -1.41 0.00 0.00 57.07 55.17 1ut1 s TYR 101 Cb -0.22 -1.40 -0.07 0.00 -1.10 0.00 0.00 41.96 39.17 1ut1 s TYR 101 CO -0.05 0.31 1.20 0.21 -2.51 0.00 0.00 175.55 174.72 1ut1 s LYS 102 N -1.79 4.46 0.41 -3.49 2.20 -0.07 0.21 119.74 121.67 1ut1 s LYS 102 Ca 0.16 1.81 0.11 0.00 -0.36 0.00 0.00 55.97 57.69 1ut1 s LYS 102 Cb -0.10 -3.31 0.87 0.00 -1.51 0.00 0.00 37.83 33.78 1ut1 s LYS 102 CO 0.07 -0.19 1.96 -0.91 -0.36 0.00 0.00 175.35 175.92 1ut1 h ASN 103 N 6.25 0.17 -2.24 1.43 -0.26 -1.44 -3.42 115.58 116.06 1ut1 h ASN 103 Ca -0.43 -0.03 -0.46 0.00 -0.56 0.00 0.00 56.30 54.82 1ut1 h ASN 103 Cb 1.21 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 1ut1 h ASN 103 CO 0.79 0.31 -0.41 -0.62 -1.06 0.00 0.00 177.43 176.44 1ut1 s ASP 104 N -6.91 6.31 0.68 5.81 3.68 -1.26 -5.06 116.67 119.92 1ut1 s ASP 104 Ca -0.05 0.10 -0.09 0.00 2.13 0.00 0.00 52.55 54.63 1ut1 s ASP 104 Cb 0.16 -1.86 0.02 0.00 -1.45 0.00 0.00 42.92 39.79 1ut1 s ASP 104 CO 0.72 -0.10 1.04 0.68 0.13 0.00 0.00 175.17 177.64 1ut1 s VAL 105 N -2.02 3.37 0.00 1.11 -7.23 -1.26 -4.42 120.40 109.95 1ut1 s VAL 105 Ca 0.35 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1ut1 s VAL 105 Cb -0.09 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1ut1 s VAL 105 CO 0.30 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1ut1 n GLY 106 N -2.89 3.79 3.15 2.32 0.00 -0.11 -4.94 105.19 106.52 1ut1 n GLY 106 Ca 0.06 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 4.55 -4.77 1.61 7.64 -1.22 -4.38 113.62 117.06 1ut1 n SER 107 Ca 0.00 -2.91 -0.40 0.00 1.01 0.00 0.00 58.87 56.57 1ut1 n SER 107 Cb 0.00 -1.67 -0.01 0.00 -1.01 0.00 0.00 64.21 61.52 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 3.14 2.89 -0.11 1.43 -0.00 -1.26 -4.61 118.94 120.42 1ut1 s TRP 108 Ca 0.49 1.39 0.03 0.00 -0.00 0.00 0.00 56.10 58.00 1ut1 s TRP 108 Cb 0.08 -3.70 0.01 0.00 -0.00 0.00 0.00 33.47 29.85 1ut1 s TRP 108 CO -0.00 -2.07 -0.20 0.20 -0.00 0.00 0.00 176.95 174.88 1ut1 s GLY 109 N -0.58 1.22 0.00 5.86 0.00 -1.26 -0.81 107.32 111.74 1ut1 s GLY 109 Ca 0.53 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1ut1 s GLY 109 CO 0.52 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1ut1 n GLY 110 N 3.94 1.67 2.96 0.20 0.00 0.36 -5.01 105.19 109.31 1ut1 n GLY 110 Ca -0.20 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.68 0.89 -0.23 -0.61 1.01 -1.26 -1.46 121.20 116.86 1ut1 s ILE 111 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1ut1 s ILE 111 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1ut1 s ILE 111 CO 0.00 0.31 0.05 -0.63 0.00 0.00 0.00 174.94 174.67 1ut1 s ILE 112 N 0.88 4.31 0.08 2.92 -1.09 0.07 -1.15 121.20 127.22 1ut1 s ILE 112 Ca -0.11 -0.18 -0.11 0.00 -2.23 0.00 0.00 60.65 58.01 1ut1 s ILE 112 Cb -0.15 -2.99 -0.06 0.00 -1.58 0.00 0.00 42.46 37.68 1ut1 s ILE 112 CO 0.01 0.38 0.43 -0.83 -1.23 0.00 0.00 174.94 173.70 1ut1 s GLY 113 N 1.27 2.39 -0.19 6.18 0.00 -0.07 0.19 107.32 117.08 1ut1 s GLY 113 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 1ut1 s GLY 113 CO 0.03 -0.05 -0.09 -0.42 0.00 0.00 0.00 173.10 172.57 1ut1 s ILE 114 N -1.36 3.09 0.06 0.90 -1.09 -0.46 -1.48 121.20 120.87 1ut1 s ILE 114 Ca 0.32 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 1ut1 s ILE 114 Cb -0.15 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1ut1 s ILE 114 CO 0.17 0.47 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.90 1ut1 s TYR 115 N 1.16 1.24 0.22 3.97 2.02 -0.43 0.06 117.35 125.60 1ut1 s TYR 115 Ca 0.01 -0.42 -0.32 0.00 -0.37 0.00 0.00 57.07 55.98 1ut1 s TYR 115 Cb -0.14 -0.71 -0.12 0.00 -0.40 0.00 0.00 41.96 40.58 1ut1 s TYR 115 CO -0.03 0.06 1.71 0.08 -1.57 0.00 0.00 175.55 175.80 1ut1 s VAL 116 N -1.11 2.01 -0.62 0.71 1.01 0.54 -0.48 120.40 122.47 1ut1 s VAL 116 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1ut1 s VAL 116 Cb -0.09 -3.01 0.16 0.00 0.00 0.00 0.00 36.38 33.44 1ut1 s VAL 116 CO 0.02 0.00 0.54 -0.62 0.00 0.00 0.00 175.10 175.04 1ut1 s ASP 117 N 1.07 6.16 0.00 3.32 2.15 -0.03 -0.75 116.67 128.59 1ut1 s ASP 117 Ca 0.73 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 51.49 1ut1 s ASP 117 Cb -0.50 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ut1 s ASP 117 CO 0.35 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 1ut1 n GLY 118 N 4.58 -0.73 3.69 2.66 0.00 -1.26 -4.78 105.19 109.36 1ut1 n GLY 118 Ca -0.01 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 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 0.44 2.47 -2.73 1.61 -0.00 -1.26 -4.47 117.38 113.43 1ut1 n GLN 119 Ca 0.00 0.89 -0.18 0.00 -0.00 0.00 0.00 57.00 57.71 1ut1 n GLN 119 Cb 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 30.24 27.54 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 3.91 2.01 0.00 2.61 6.02 -0.15 -4.91 117.38 126.86 1ut1 n GLN 120 Ca 0.17 -3.82 0.11 0.00 -0.01 0.00 0.00 57.00 53.45 1ut1 n GLN 120 Cb 0.32 -1.72 0.62 0.00 1.02 0.00 0.00 30.24 30.48 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 -0.14 0.09 -0.03 5.09 -2.24 -1.24 -2.31 114.28 113.48 1ut1 n THR 121 Ca 0.23 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 1ut1 n THR 121 Cb 0.70 -0.68 0.21 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.07 3.30 -4.69 3.42 5.03 -1.26 -4.26 115.26 115.73 1ut1 n ASN 122 Ca 0.15 -1.94 -0.44 0.00 0.87 0.00 0.00 54.58 53.21 1ut1 n ASN 122 Cb 0.10 -0.29 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 1ut1 n ASN 122 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1ut1 n THR 123 N 1.16 0.63 -1.99 3.41 -1.04 -0.98 -4.92 114.28 110.55 1ut1 n THR 123 Ca 0.17 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.62 1ut1 n THR 123 Cb 0.52 -1.61 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 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 0.04 4.11 0.40 -2.82 0.02 -1.26 -4.80 135.00 130.70 1ut1 s PRO 124 Ca 0.71 2.30 -0.27 0.00 0.02 0.00 0.00 61.00 63.76 1ut1 s PRO 124 Cb -0.62 -2.91 -0.10 0.00 0.02 0.00 0.00 34.50 30.88 1ut1 s PRO 124 CO 0.45 -0.42 1.40 -2.30 -0.33 0.00 0.00 177.00 175.79 1ut1 n PRO 125 N 0.41 2.33 -3.76 5.54 -0.02 -1.26 -4.85 135.00 133.39 1ut1 n PRO 125 Ca 0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1ut1 n PRO 125 Cb 0.42 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.61 -2.11 3.53 -1.23 0.00 -0.60 -4.97 105.19 100.42 1ut1 n GLY 126 Ca 0.04 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.39 5.22 0.07 1.61 0.01 -1.26 -0.92 114.94 118.27 1ut1 s ASN 127 Ca 0.00 -0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.16 1ut1 s ASN 127 Cb 0.00 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 1ut1 s ASN 127 CO 0.00 0.10 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.14 1ut1 s TYR 128 N 0.81 2.39 0.00 2.20 2.02 0.09 -1.31 117.35 123.56 1ut1 s TYR 128 Ca 0.02 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1ut1 s TYR 128 Cb -0.14 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1ut1 s TYR 128 CO 0.02 0.22 0.03 0.99 -1.57 0.00 0.00 175.55 175.25 1ut1 s THR 129 N -0.91 0.06 -0.09 -0.71 2.01 -0.11 -1.22 115.64 114.67 1ut1 s THR 129 Ca 0.13 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1ut1 s THR 129 Cb -0.10 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1ut1 s THR 129 CO 0.04 -0.27 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.42 1ut1 s LEU 130 N -0.83 1.11 -0.17 4.42 2.96 0.30 -1.29 118.68 125.19 1ut1 s LEU 130 Ca -0.09 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1ut1 s LEU 130 Cb -0.06 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1ut1 s LEU 130 CO -0.00 -0.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.91 1ut1 s THR 131 N 1.52 2.87 -0.08 3.68 2.01 -1.26 -0.21 115.64 124.17 1ut1 s THR 131 Ca -0.00 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.35 1ut1 s THR 131 Cb -0.13 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 1ut1 s THR 131 CO -0.05 0.50 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.38 1ut1 s LEU 132 N 0.90 2.07 -0.09 4.42 1.43 -0.16 -1.33 118.68 125.92 1ut1 s LEU 132 Ca -0.03 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1ut1 s LEU 132 Cb -0.15 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1ut1 s LEU 132 CO -0.01 0.20 -0.12 -0.89 0.23 0.00 0.00 176.35 175.76 1ut1 s THR 133 N 0.11 3.22 0.32 5.49 2.01 -0.12 0.12 115.64 126.80 1ut1 s THR 133 Ca -0.12 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 1ut1 s THR 133 Cb -0.16 -2.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 1ut1 s THR 133 CO 0.06 0.56 1.01 -0.83 -0.69 0.00 0.00 174.62 174.73 1ut1 s GLY 134 N -0.28 2.90 0.00 4.40 0.00 -0.35 -0.82 107.32 113.17 1ut1 s GLY 134 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1ut1 s GLY 134 CO 0.03 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.91 1ut1 n GLY 135 N 0.80 1.10 3.02 0.20 0.00 -0.35 -0.77 105.19 109.18 1ut1 n GLY 135 Ca 0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.08 0.36 -0.13 1.61 1.13 -0.82 -0.57 117.35 116.84 1ut1 s TYR 136 Ca 0.00 -0.70 -0.06 0.00 -1.41 0.00 0.00 57.07 54.90 1ut1 s TYR 136 Cb 0.00 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1ut1 s TYR 136 CO 0.00 -0.25 0.09 -0.46 -2.51 0.00 0.00 175.55 172.43 1ut1 s TRP 137 N -2.23 3.41 -0.01 -3.49 -0.11 0.15 -1.37 118.94 115.28 1ut1 s TRP 137 Ca -0.09 0.35 0.02 0.00 1.22 0.00 0.00 56.10 57.60 1ut1 s TRP 137 Cb -0.04 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 29.98 1ut1 s TRP 137 CO -0.04 0.53 -0.06 0.00 -4.62 0.00 0.00 176.95 172.76 1ut1 s ALA 138 N -0.61 0.54 -2.35 5.86 0.00 -0.77 -3.62 121.76 120.81 1ut1 s ALA 138 Ca 0.12 -0.23 0.29 0.00 0.00 0.00 0.00 51.96 52.14 1ut1 s ALA 138 Cb -0.12 -0.18 1.31 0.00 0.00 0.00 0.00 23.12 24.14 1ut1 s ALA 138 CO 0.02 0.10 1.89 1.63 0.00 0.00 0.00 175.76 179.41