#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ut2 s SER 1 N 0.00 0.83 -0.08 1.61 0.01 0.50 -4.95 113.70 111.62 1ut2 s SER 1 Ca 0.00 -0.35 -0.21 0.00 1.31 0.00 0.00 55.95 56.70 1ut2 s SER 1 Cb 0.00 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1ut2 s SER 1 CO 0.00 -0.07 0.59 0.12 0.41 0.00 0.00 173.24 174.29 1ut2 s PHE 2 N -0.80 3.56 -0.30 2.43 2.19 -1.26 -2.45 117.98 121.34 1ut2 s PHE 2 Ca -0.04 1.09 -0.07 0.00 0.33 0.00 0.00 56.93 58.24 1ut2 s PHE 2 Cb -0.06 -2.67 0.01 0.00 -1.31 0.00 0.00 43.02 38.98 1ut2 s PHE 2 CO 0.00 0.16 0.09 0.99 1.83 0.00 0.00 175.22 178.29 1ut2 s THR 3 N 0.59 4.06 -0.07 0.12 2.01 0.12 -4.98 115.64 117.49 1ut2 s THR 3 Ca 0.32 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1ut2 s THR 3 Cb -0.17 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 1ut2 s THR 3 CO 0.15 0.06 1.78 -2.84 -0.69 0.00 0.00 174.62 173.08 1ut2 s PRO 4 N 1.51 4.03 -0.49 4.92 0.02 -1.26 -1.65 135.00 142.08 1ut2 s PRO 4 Ca 0.03 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.32 1ut2 s PRO 4 Cb -0.17 -4.07 0.23 0.00 0.02 0.00 0.00 34.50 30.50 1ut2 s PRO 4 CO 0.03 -1.04 0.83 0.45 -0.33 0.00 0.00 177.00 176.94 1ut2 n SER 5 N 7.79 -2.90 0.00 2.53 2.88 -0.80 -4.94 113.62 118.19 1ut2 n SER 5 Ca 0.19 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1ut2 n SER 5 Cb 0.43 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 1ut2 n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ut2 n GLY 6 N 1.99 -1.35 3.95 0.46 0.00 -1.18 -3.78 105.19 105.27 1ut2 n GLY 6 Ca 0.12 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1ut2 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ut2 s THR 7 N -2.94 4.00 -0.24 2.61 -4.23 -1.26 -4.55 115.64 109.03 1ut2 s THR 7 Ca 0.00 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.98 1ut2 s THR 7 Cb 0.00 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 1ut2 s THR 7 CO 0.00 -0.35 0.08 -0.89 -0.54 0.00 0.00 174.62 172.92 1ut2 s THR 8 N -2.58 4.56 0.25 3.99 2.01 -1.26 -1.65 115.64 120.96 1ut2 s THR 8 Ca 0.49 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1ut2 s THR 8 Cb -0.10 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1ut2 s THR 8 CO 0.38 0.36 0.28 -0.83 -0.69 0.00 0.00 174.62 174.12 1ut2 s GLY 9 N 1.32 1.34 -0.03 4.40 0.00 0.12 -4.94 107.32 109.52 1ut2 s GLY 9 Ca 0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 1ut2 s GLY 9 CO 0.04 -1.37 0.06 -1.08 0.00 0.00 0.00 173.10 170.76 1ut2 s THR 10 N -2.07 -0.04 -0.38 0.90 -1.32 -1.26 -0.91 115.64 110.56 1ut2 s THR 10 Ca 0.34 0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 1ut2 s THR 10 Cb -0.08 -0.11 0.06 0.00 -1.51 0.00 0.00 72.50 70.85 1ut2 s THR 10 CO 0.27 0.05 0.19 -0.89 -2.21 0.00 0.00 174.62 172.04 1ut2 s THR 11 N 0.70 4.10 -0.19 5.08 2.01 -0.07 -4.93 115.64 122.35 1ut2 s THR 11 Ca -0.06 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 1ut2 s THR 11 Cb -0.08 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1ut2 s THR 11 CO -0.02 -0.35 0.02 -0.54 -0.69 0.00 0.00 174.62 173.04 1ut2 s LYS 12 N 1.43 3.78 -0.03 4.92 1.02 -1.26 -1.09 119.74 128.50 1ut2 s LYS 12 Ca 0.01 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.60 1ut2 s LYS 12 Cb -0.21 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1ut2 s LYS 12 CO 0.03 0.15 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.29 1ut2 s LEU 13 N 0.66 1.93 -0.48 3.17 2.96 -0.04 -4.31 118.68 122.57 1ut2 s LEU 13 Ca 0.01 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1ut2 s LEU 13 Cb -0.14 -0.84 0.13 0.00 0.50 0.00 0.00 46.19 45.83 1ut2 s LEU 13 CO 0.02 0.15 0.30 -0.89 -1.32 0.00 0.00 176.35 174.62 1ut2 s THR 14 N -0.08 3.66 0.28 3.68 2.01 -0.11 -0.97 115.64 124.11 1ut2 s THR 14 Ca -0.00 -2.20 -0.29 0.00 0.31 0.00 0.00 61.69 59.51 1ut2 s THR 14 Cb -0.09 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1ut2 s THR 14 CO 0.01 -0.76 1.16 -0.69 -0.69 0.00 0.00 174.62 173.65 1ut2 s VAL 15 N 0.91 3.32 0.30 3.82 1.01 -0.89 -2.15 120.40 126.72 1ut2 s VAL 15 Ca 0.10 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1ut2 s VAL 15 Cb -0.23 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1ut2 s VAL 15 CO -0.03 0.30 0.33 0.42 0.00 0.00 0.00 175.10 176.11 1ut2 s THR 16 N -1.01 0.00 0.79 3.92 -4.23 0.17 -2.59 115.64 112.69 1ut2 s THR 16 Ca 0.47 -1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1ut2 s THR 16 Cb -0.34 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1ut2 s THR 16 CO 0.43 0.00 1.13 -1.61 -0.54 0.00 0.00 174.62 174.03 1ut2 s GLU 17 N -3.51 1.77 0.48 3.99 0.41 -1.26 -1.29 118.70 119.28 1ut2 s GLU 17 Ca 0.36 -0.22 0.24 0.00 -0.41 0.00 0.00 54.97 54.94 1ut2 s GLU 17 Cb 0.02 -2.04 1.28 0.00 -1.78 0.00 0.00 34.13 31.62 1ut2 s GLU 17 CO 0.20 -1.61 1.88 1.49 -0.49 0.00 0.00 175.26 176.73 1ut2 h GLU 18 N -0.96 0.19 -4.69 1.61 4.57 -1.98 -3.16 114.58 110.16 1ut2 h GLU 18 Ca -0.44 -0.01 -0.72 0.00 -1.18 0.00 0.00 59.36 57.00 1ut2 h GLU 18 Cb 1.30 -0.04 -0.20 0.00 -0.16 0.00 0.00 28.75 29.65 1ut2 h GLU 18 CO 0.56 0.13 0.73 0.00 -1.18 0.00 0.00 179.01 179.25 1ut2 s GLN 20 N 1.88 3.93 -0.53 0.00 -2.07 -1.20 -5.05 119.66 116.63 1ut2 s GLN 20 Ca 0.31 -0.20 -0.10 0.00 -1.82 0.00 0.00 55.36 53.55 1ut2 s GLN 20 Cb -0.06 -3.68 0.13 0.00 -1.09 0.00 0.00 33.01 28.32 1ut2 s GLN 20 CO -0.08 -0.26 0.42 0.08 -1.32 0.00 0.00 175.29 174.13 1ut2 s VAL 21 N 1.90 4.46 -0.66 3.63 1.01 -1.26 -5.04 120.40 124.44 1ut2 s VAL 21 Ca 0.11 -1.89 -0.28 0.00 0.00 0.00 0.00 61.98 59.91 1ut2 s VAL 21 Cb -0.16 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1ut2 s VAL 21 CO 0.11 -0.82 1.25 -0.13 0.00 0.00 0.00 175.10 175.51 1ut2 s ARG 22 N 1.18 3.34 0.14 2.72 0.52 -1.26 -5.01 118.95 120.58 1ut2 s ARG 22 Ca 0.07 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1ut2 s ARG 22 Cb -0.25 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 1ut2 s ARG 22 CO -0.01 -1.93 0.32 0.08 0.02 0.00 0.00 175.30 173.77 1ut2 s VAL 23 N 5.43 5.27 0.00 3.52 1.01 -1.26 -4.98 120.40 129.39 1ut2 s VAL 23 Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ut2 s VAL 23 Cb -0.08 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1ut2 s VAL 23 CO 0.20 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1ut2 n GLY 24 N -0.25 0.76 3.28 4.51 0.00 -1.26 -4.80 105.19 107.42 1ut2 n GLY 24 Ca -0.05 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1ut2 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ut2 n ASP 25 N -2.43 -2.44 -4.81 1.61 9.92 -1.26 -4.97 116.55 112.16 1ut2 n ASP 25 Ca 0.00 -0.01 -0.36 0.00 -0.53 0.00 0.00 54.79 53.89 1ut2 n ASP 25 Cb 0.00 -0.98 -0.07 0.00 -0.64 0.00 0.00 41.12 39.43 1ut2 n ASP 25 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ut2 s LEU 26 N -0.45 4.26 0.00 0.64 0.20 -1.26 -5.08 118.68 117.00 1ut2 s LEU 26 Ca 0.55 0.36 0.07 0.00 0.69 0.00 0.00 54.13 55.79 1ut2 s LEU 26 Cb -0.13 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 1ut2 s LEU 26 CO 0.67 0.32 0.25 0.35 -0.29 0.00 0.00 176.35 177.65 1ut2 n THR 27 N 2.58 0.00 -2.31 3.68 -2.24 -1.26 -5.10 114.28 109.62 1ut2 n THR 27 Ca -0.18 -2.25 -0.43 0.00 -2.27 0.00 0.00 64.05 58.92 1ut2 n THR 27 Cb 0.54 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1ut2 n THR 27 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ut2 s VAL 28 N -3.24 3.86 -0.08 2.28 1.01 -1.26 -4.99 120.40 117.98 1ut2 s VAL 28 Ca 0.36 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.25 1ut2 s VAL 28 Cb 0.02 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1ut2 s VAL 28 CO 0.25 -0.73 -0.21 0.00 0.00 0.00 0.00 175.10 174.42 1ut2 s ALA 29 N 5.60 2.34 -0.07 5.51 0.00 -1.26 -0.93 121.76 132.95 1ut2 s ALA 29 Ca 0.63 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1ut2 s ALA 29 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1ut2 s ALA 29 CO 0.33 0.39 0.18 0.15 0.00 0.00 0.00 175.76 176.80 1ut2 s LYS 30 N -0.09 0.18 0.49 0.00 3.01 -0.92 -4.96 119.74 117.46 1ut2 s LYS 30 Ca -0.05 0.30 -0.17 0.00 -1.01 0.00 0.00 55.97 55.04 1ut2 s LYS 30 Cb -0.14 0.02 -0.08 0.00 -1.01 0.00 0.00 37.83 36.61 1ut2 s LYS 30 CO 0.04 -0.07 0.97 0.95 0.51 0.00 0.00 175.35 177.75 1ut2 s THR 31 N 0.45 4.51 0.46 2.17 -4.23 -1.26 -0.66 115.64 117.09 1ut2 s THR 31 Ca -0.03 1.25 0.21 0.00 -1.18 0.00 0.00 61.69 61.94 1ut2 s THR 31 Cb -0.04 -3.69 0.40 0.00 1.34 0.00 0.00 72.50 70.50 1ut2 s THR 31 CO -0.02 -0.60 1.90 0.03 -0.54 0.00 0.00 174.62 175.38 1ut2 h ARG 32 N 1.15 0.26 -0.72 3.99 3.08 -1.48 0.88 114.38 121.54 1ut2 h ARG 32 Ca -0.47 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.58 1ut2 h ARG 32 Cb 1.18 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 1ut2 h ARG 32 CO 0.61 0.17 0.47 0.78 -1.07 0.00 0.00 179.97 180.94 1ut2 h GLY 33 N 0.27 1.00 1.84 0.04 0.00 -1.85 -1.06 103.07 103.32 1ut2 h GLY 33 Ca 0.41 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ut2 h GLY 33 CO -0.11 0.34 0.00 -1.06 0.00 0.00 0.00 176.54 175.71 1ut2 n GLN 34 N -4.44 0.13 -0.63 4.80 6.02 0.30 -4.06 117.38 119.49 1ut2 n GLN 34 Ca 0.08 0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 57.10 1ut2 n GLN 34 Cb 0.07 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 1ut2 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ut2 n LEU 35 N -1.42 4.71 -4.85 1.08 4.77 -0.40 -4.81 117.00 116.07 1ut2 n LEU 35 Ca 0.08 -2.45 -0.29 0.00 -0.03 0.00 0.00 56.01 53.32 1ut2 n LEU 35 Cb 0.25 -1.11 0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1ut2 n LEU 35 CO 0.21 1.13 0.76 0.42 -1.33 0.00 0.00 177.39 178.59 1ut2 s THR 36 N 0.65 1.99 0.42 -5.08 -4.23 -1.26 -1.25 115.64 106.88 1ut2 s THR 36 Ca 0.25 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1ut2 s THR 36 Cb 0.12 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 1ut2 s THR 36 CO 0.00 0.00 1.31 -0.62 -0.54 0.00 0.00 174.62 174.77 1ut2 s ASP 37 N -4.38 6.21 0.00 3.99 3.68 -1.26 -2.13 116.67 122.77 1ut2 s ASP 37 Ca 0.64 2.66 0.00 0.00 2.13 0.00 0.00 52.55 57.98 1ut2 s ASP 37 Cb -0.12 -2.64 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 1ut2 s ASP 37 CO 0.51 -0.92 0.00 0.00 0.13 0.00 0.00 175.17 174.89 1ut2 n ALA 38 N -0.00 0.00 -1.68 3.66 0.00 0.02 -4.90 120.51 117.62 1ut2 n ALA 38 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.01 1ut2 n ALA 38 Cb 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1ut2 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut2 n ALA 39 N 0.64 1.09 -2.71 0.00 0.00 -0.91 -4.45 120.51 114.18 1ut2 n ALA 39 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1ut2 n ALA 39 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1ut2 n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ut2 s PRO 40 N 2.66 4.52 0.00 0.00 0.04 -1.26 0.82 135.00 141.77 1ut2 s PRO 40 Ca 0.86 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ut2 s PRO 40 Cb -0.68 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1ut2 s PRO 40 CO 0.45 -0.09 0.00 -0.89 0.04 0.00 0.00 177.00 176.51 1ut2 n ILE 41 N 4.02 0.00 -2.30 0.56 2.08 0.13 -4.95 119.36 118.90 1ut2 n ILE 41 Ca 0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.37 1ut2 n ILE 41 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1ut2 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ut2 n GLY 42 N 5.00 1.48 2.93 7.39 0.00 -1.26 -4.92 105.19 115.81 1ut2 n GLY 42 Ca 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1ut2 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ut2 s PRO 43 N -0.29 0.13 -0.18 1.61 0.04 -1.26 -2.73 135.00 132.32 1ut2 s PRO 43 Ca 0.00 -0.14 -0.04 0.00 0.04 0.00 0.00 61.00 60.87 1ut2 s PRO 43 Cb 0.00 0.05 -0.02 0.00 0.04 0.00 0.00 34.50 34.57 1ut2 s PRO 43 CO 0.00 -0.02 -0.04 0.08 0.04 0.00 0.00 177.00 177.06 1ut2 s VAL 44 N -0.42 3.70 -0.21 -0.36 1.01 -0.08 -4.94 120.40 119.11 1ut2 s VAL 44 Ca -0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1ut2 s VAL 44 Cb -0.03 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1ut2 s VAL 44 CO -0.00 0.46 0.65 0.42 0.00 0.00 0.00 175.10 176.63 1ut2 s THR 45 N 0.78 5.00 -0.01 3.92 -4.23 -1.26 -0.74 115.64 119.10 1ut2 s THR 45 Ca -0.01 1.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.80 1ut2 s THR 45 Cb -0.15 -3.96 -0.02 0.00 1.34 0.00 0.00 72.50 69.71 1ut2 s THR 45 CO 0.02 0.09 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.24 1ut2 s VAL 46 N 2.05 2.13 -0.16 2.29 1.01 -0.69 -5.01 120.40 122.02 1ut2 s VAL 46 Ca 0.29 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1ut2 s VAL 46 Cb -0.16 -1.76 0.08 0.00 0.00 0.00 0.00 36.38 34.54 1ut2 s VAL 46 CO 0.10 0.54 0.24 -1.58 0.00 0.00 0.00 175.10 174.40 1ut2 s GLN 47 N -0.75 0.16 -0.01 2.72 2.00 -1.26 -1.95 119.66 120.57 1ut2 s GLN 47 Ca 0.10 0.50 -0.02 0.00 -2.00 0.00 0.00 55.36 53.94 1ut2 s GLN 47 Cb -0.10 -0.56 -0.04 0.00 0.80 0.00 0.00 33.01 33.11 1ut2 s GLN 47 CO -0.00 -0.45 0.16 0.00 -0.50 0.00 0.00 175.29 174.50 1ut2 s ALA 48 N 2.37 3.90 -0.05 1.58 0.00 -0.89 -5.03 121.76 123.65 1ut2 s ALA 48 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1ut2 s ALA 48 Cb -0.14 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.16 1ut2 s ALA 48 CO -0.10 0.74 -0.07 -0.51 0.00 0.00 0.00 175.76 175.81 1ut2 s LEU 49 N -1.88 1.47 -0.99 0.00 1.02 -1.26 -4.66 118.68 112.38 1ut2 s LEU 49 Ca 0.26 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1ut2 s LEU 49 Cb -0.12 -0.57 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1ut2 s LEU 49 CO 0.17 -0.02 0.85 0.61 0.02 0.00 0.00 176.35 177.99 1ut2 n GLY 50 N 3.89 -0.20 2.45 -3.19 0.00 -1.26 -4.95 105.19 101.94 1ut2 n GLY 50 Ca -0.24 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1ut2 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ut2 n ASN 52 N -0.51 0.16 -0.03 0.00 4.13 -1.26 -1.37 115.26 116.39 1ut2 n ASN 52 Ca 0.27 0.25 0.02 0.00 1.68 0.00 0.00 54.58 56.81 1ut2 n ASN 52 Cb 0.83 -0.26 0.03 0.00 -1.54 0.00 0.00 39.78 38.83 1ut2 n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ut2 n ALA 53 N -1.49 1.98 -2.29 5.41 0.00 -1.26 -4.09 120.51 118.77 1ut2 n ALA 53 Ca 0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.08 1ut2 n ALA 53 Cb 0.34 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 1ut2 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ut2 s ARG 54 N -1.29 0.91 -0.41 0.00 1.81 -1.22 -4.97 118.95 113.78 1ut2 s ARG 54 Ca 0.07 -1.31 -0.20 0.00 -1.72 0.00 0.00 55.73 52.57 1ut2 s ARG 54 Cb 0.06 -0.43 0.01 0.00 -0.45 0.00 0.00 34.95 34.14 1ut2 s ARG 54 CO 0.01 0.04 0.58 -0.65 -0.68 0.00 0.00 175.30 174.60 1ut2 s GLN 55 N -3.49 3.38 0.31 3.54 -0.21 -1.25 -2.46 119.66 119.49 1ut2 s GLN 55 Ca 0.11 -0.33 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 1ut2 s GLN 55 Cb 0.02 -3.90 -0.12 0.00 1.00 0.00 0.00 33.01 30.00 1ut2 s GLN 55 CO -0.02 -0.87 1.38 0.28 -2.12 0.00 0.00 175.29 173.95 1ut2 n VAL 56 N 5.66 1.59 -3.85 1.09 0.31 -1.26 -0.51 118.33 121.36 1ut2 n VAL 56 Ca -0.03 -0.40 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 1ut2 n VAL 56 Cb 0.48 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.69 1ut2 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ut2 s ALA 57 N -0.67 -0.34 -0.06 3.52 0.00 0.10 0.50 121.76 124.81 1ut2 s ALA 57 Ca 0.60 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1ut2 s ALA 57 Cb -0.57 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1ut2 s ALA 57 CO 0.57 -0.39 -0.19 -0.51 0.00 0.00 0.00 175.76 175.24 1ut2 s LEU 58 N -2.25 1.92 -0.17 0.00 1.02 -0.18 -2.12 118.68 116.90 1ut2 s LEU 58 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1ut2 s LEU 58 Cb 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 46.19 45.12 1ut2 s LEU 58 CO -0.05 0.14 -0.16 -0.75 0.02 0.00 0.00 176.35 175.55 1ut2 s LYS 59 N 0.21 3.15 0.28 1.70 2.47 -0.11 -0.11 119.74 127.33 1ut2 s LYS 59 Ca -0.10 -0.77 -0.13 0.00 -1.56 0.00 0.00 55.97 53.42 1ut2 s LYS 59 Cb -0.14 -2.63 -0.08 0.00 -1.46 0.00 0.00 37.83 33.51 1ut2 s LYS 59 CO 0.04 -0.07 0.66 0.00 0.16 0.00 0.00 175.35 176.14 1ut2 s ALA 60 N 1.02 3.42 0.74 3.13 0.00 -0.35 -0.15 121.76 129.58 1ut2 s ALA 60 Ca -0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 1ut2 s ALA 60 Cb -0.15 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1ut2 s ALA 60 CO -0.04 0.41 0.96 -0.25 0.00 0.00 0.00 175.76 176.84 1ut2 n ASP 61 N -0.27 0.39 0.16 0.00 9.92 -0.98 -4.83 116.55 120.95 1ut2 n ASP 61 Ca 0.02 0.64 0.18 0.00 -0.53 0.00 0.00 54.79 55.10 1ut2 n ASP 61 Cb 0.53 -1.41 0.79 0.00 -0.64 0.00 0.00 41.12 40.39 1ut2 n ASP 61 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1ut2 h THR 62 N -0.40 0.50 -0.45 -3.53 1.35 -1.95 0.77 112.91 109.21 1ut2 h THR 62 Ca -0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1ut2 h THR 62 Cb 1.33 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1ut2 h THR 62 CO 0.46 0.00 0.03 -0.90 -0.25 0.00 0.00 175.52 174.86 1ut2 n ASP 63 N -3.88 4.51 0.00 5.36 5.75 -1.26 -3.94 116.55 123.10 1ut2 n ASP 63 Ca 0.03 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1ut2 n ASP 63 Cb 0.41 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1ut2 n ASP 63 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ut2 n ASN 64 N 0.40 1.03 -3.65 -1.12 3.02 0.26 -4.51 115.26 110.70 1ut2 n ASN 64 Ca 0.22 -1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 53.35 1ut2 n ASN 64 Cb 0.99 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.09 1ut2 n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ut2 s PHE 65 N -0.28 -0.35 -0.30 3.10 -0.12 -1.24 -1.12 117.98 117.67 1ut2 s PHE 65 Ca 0.00 0.47 -0.13 0.00 -0.05 0.00 0.00 56.93 57.22 1ut2 s PHE 65 Cb 0.00 0.24 0.17 0.00 -0.63 0.00 0.00 43.02 42.80 1ut2 s PHE 65 CO 0.00 -0.53 0.94 -2.00 -0.05 0.00 0.00 175.22 173.58 1ut2 s GLU 66 N -1.83 0.32 0.00 1.99 2.12 -1.26 -4.93 118.70 115.11 1ut2 s GLU 66 Ca -0.09 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1ut2 s GLU 66 Cb -0.02 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1ut2 s GLU 66 CO 0.03 -0.16 0.00 1.04 -0.54 0.00 0.00 175.26 175.62 1ut2 n GLN 67 N 5.12 0.00 0.00 4.30 3.00 -1.26 -4.82 117.38 123.72 1ut2 n GLN 67 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1ut2 n GLN 67 Cb 0.52 -3.17 0.00 0.00 0.00 0.00 0.00 30.24 27.59 1ut2 n GLN 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ut2 n LYS 69 N -0.98 0.00 -3.69 -1.09 4.76 -1.26 -5.06 118.16 110.85 1ut2 n LYS 69 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1ut2 n LYS 69 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1ut2 n LYS 69 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ut2 s PHE 70 N 0.00 3.50 -0.10 2.13 0.40 -1.26 -4.19 117.98 118.46 1ut2 s PHE 70 Ca 0.00 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.59 1ut2 s PHE 70 Cb 0.00 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.63 1ut2 s PHE 70 CO 0.00 0.47 0.85 -0.59 0.70 0.00 0.00 175.22 176.65 1ut2 s PHE 71 N -1.58 -0.50 0.18 0.36 -0.12 -0.27 -1.41 117.98 114.64 1ut2 s PHE 71 Ca 0.38 0.84 -0.23 0.00 -0.05 0.00 0.00 56.93 57.87 1ut2 s PHE 71 Cb -0.12 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.62 1ut2 s PHE 71 CO 0.23 -0.47 0.75 -0.51 -0.05 0.00 0.00 175.22 175.17 1ut2 s LEU 72 N -1.20 4.50 -0.10 -1.99 1.02 0.43 -4.49 118.68 116.86 1ut2 s LEU 72 Ca -0.06 1.56 -0.03 0.00 0.02 0.00 0.00 54.13 55.62 1ut2 s LEU 72 Cb -0.00 -3.38 -0.03 0.00 0.02 0.00 0.00 46.19 42.79 1ut2 s LEU 72 CO 0.05 0.15 0.03 -0.51 0.02 0.00 0.00 176.35 176.09 1ut2 s ILE 73 N -1.28 4.57 0.66 -0.59 1.10 -0.02 -0.98 121.20 124.66 1ut2 s ILE 73 Ca 0.38 -0.15 -0.14 0.00 -0.51 0.00 0.00 60.65 60.24 1ut2 s ILE 73 Cb -0.21 -2.94 -0.01 0.00 0.15 0.00 0.00 42.46 39.46 1ut2 s ILE 73 CO 0.24 0.61 1.07 -0.55 -2.11 0.00 0.00 174.94 174.20 1ut2 s SER 74 N -0.88 5.36 0.64 4.50 0.15 0.59 -1.48 113.70 122.59 1ut2 s SER 74 Ca 0.13 1.81 0.37 0.00 0.70 0.00 0.00 55.95 58.96 1ut2 s SER 74 Cb -0.11 -2.53 2.02 0.00 -1.71 0.00 0.00 66.02 63.69 1ut2 s SER 74 CO 0.03 -1.45 2.14 0.44 1.20 0.00 0.00 173.24 175.59 1ut2 h ASP 75 N -0.15 0.00 0.30 5.45 5.19 -1.64 0.39 116.42 125.96 1ut2 h ASP 75 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1ut2 h ASP 75 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ut2 h ASP 75 CO 0.56 0.00 -0.13 -0.46 -3.12 0.00 0.00 179.24 176.09 1ut2 n ASN 76 N -2.93 0.64 -1.29 6.45 2.04 -1.26 -4.89 115.26 114.03 1ut2 n ASN 76 Ca -0.02 -0.72 -0.15 0.00 -0.44 0.00 0.00 54.58 53.25 1ut2 n ASN 76 Cb 0.19 -0.02 -0.05 0.00 -2.53 0.00 0.00 39.78 37.37 1ut2 n ASN 76 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ut2 n ASN 77 N -0.81 -4.70 0.00 0.53 4.13 0.14 -4.89 115.26 109.65 1ut2 n ASN 77 Ca 0.15 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1ut2 n ASN 77 Cb 0.29 -3.60 0.00 0.00 -1.54 0.00 0.00 39.78 34.93 1ut2 n ASN 77 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ut2 n ARG 78 N -2.53 0.00 -1.67 3.52 0.63 -1.26 -4.93 116.66 110.41 1ut2 n ARG 78 Ca -0.16 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.34 1ut2 n ARG 78 Cb 0.53 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.42 1ut2 n ARG 78 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ut2 n ASP 79 N -0.46 2.54 -4.05 6.15 8.00 -1.26 -4.74 116.55 122.73 1ut2 n ASP 79 Ca 0.00 1.19 -0.18 0.00 0.71 0.00 0.00 54.79 56.51 1ut2 n ASP 79 Cb 0.00 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 39.52 1ut2 n ASP 79 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1ut2 s LYS 80 N -1.44 0.73 -0.33 -1.24 -2.85 -1.26 -0.30 119.74 113.05 1ut2 s LYS 80 Ca 0.59 -0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 55.04 1ut2 s LYS 80 Cb -0.61 -0.68 0.06 0.00 -2.06 0.00 0.00 37.83 34.54 1ut2 s LYS 80 CO 0.59 0.18 0.07 -1.17 0.10 0.00 0.00 175.35 175.11 1ut2 s LEU 81 N -0.64 4.29 0.03 2.77 2.96 -0.15 -4.92 118.68 123.02 1ut2 s LEU 81 Ca 0.01 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 1ut2 s LEU 81 Cb -0.05 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 1ut2 s LEU 81 CO 0.00 -0.34 1.41 -0.31 -1.32 0.00 0.00 176.35 175.79 1ut2 s TYR 82 N 1.27 2.92 0.23 5.38 1.51 -1.26 -0.43 117.35 126.97 1ut2 s TYR 82 Ca -0.01 0.83 0.05 0.00 -1.01 0.00 0.00 57.07 56.92 1ut2 s TYR 82 Cb -0.20 -3.68 -0.05 0.00 -0.11 0.00 0.00 41.96 37.91 1ut2 s TYR 82 CO -0.01 -2.49 -0.04 0.14 -1.11 0.00 0.00 175.55 172.04 1ut2 s VAL 83 N 2.10 1.25 -0.12 0.71 -7.23 -0.50 -0.12 120.40 116.48 1ut2 s VAL 83 Ca 0.65 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1ut2 s VAL 83 Cb -0.33 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1ut2 s VAL 83 CO 0.28 -0.38 -0.10 0.20 -0.31 0.00 0.00 175.10 174.80 1ut2 s ASN 84 N -3.33 4.34 -0.32 4.85 0.01 0.24 -4.17 114.94 116.56 1ut2 s ASN 84 Ca 0.27 -0.21 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 1ut2 s ASN 84 Cb 0.05 -1.51 0.02 0.00 0.41 0.00 0.00 41.25 40.22 1ut2 s ASN 84 CO 0.09 0.22 0.10 -0.63 -1.51 0.00 0.00 177.10 175.36 1ut2 s ILE 85 N 0.05 3.92 0.00 0.60 1.01 -1.26 -1.91 121.20 123.61 1ut2 s ILE 85 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1ut2 s ILE 85 Cb -0.14 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1ut2 s ILE 85 CO 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 174.94 174.93 1ut2 s ARG 86 N 1.46 0.14 0.70 2.79 1.70 -0.81 -4.99 118.95 119.94 1ut2 s ARG 86 Ca 0.01 -0.19 -0.13 0.00 -0.47 0.00 0.00 55.73 54.94 1ut2 s ARG 86 Cb -0.18 0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.27 1ut2 s ARG 86 CO 0.03 -0.02 1.10 -1.25 -1.08 0.00 0.00 175.30 174.08 1ut2 s PRO 87 N -0.52 2.61 0.02 3.89 0.04 -1.26 0.78 135.00 140.55 1ut2 s PRO 87 Ca -0.06 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.04 1ut2 s PRO 87 Cb -0.04 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 1ut2 s PRO 87 CO -0.00 -1.39 1.26 0.52 0.04 0.00 0.00 177.00 177.42 1ut2 h MET 88 N -0.38 -0.51 -7.10 4.56 2.86 -0.60 -3.42 114.93 110.33 1ut2 h MET 88 Ca -0.46 0.03 -0.51 0.00 -2.06 0.00 0.00 59.70 56.71 1ut2 h MET 88 Cb 1.24 0.12 0.09 0.00 0.06 0.00 0.00 31.60 33.11 1ut2 h MET 88 CO 0.53 -0.21 0.44 0.16 1.06 0.00 0.00 176.91 178.90 1ut2 s ASP 89 N -4.92 5.42 0.00 1.22 3.84 -1.26 -4.86 116.67 116.10 1ut2 s ASP 89 Ca -0.14 2.25 0.00 0.00 -0.00 0.00 0.00 52.55 54.66 1ut2 s ASP 89 Cb 0.02 -2.59 0.00 0.00 -1.38 0.00 0.00 42.92 38.98 1ut2 s ASP 89 CO 0.53 -1.43 1.37 0.59 -0.00 0.00 0.00 175.17 176.23 1ut2 n ASN 90 N -1.54 3.81 -4.62 2.11 3.02 -1.26 -4.92 115.26 111.86 1ut2 n ASN 90 Ca 0.12 -2.06 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 1ut2 n ASN 90 Cb 0.50 -0.74 0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1ut2 n ASN 90 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ut2 n SER 91 N 1.03 0.19 -4.68 6.41 3.41 -1.26 -4.97 113.62 113.76 1ut2 n SER 91 Ca 0.00 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.75 1ut2 n SER 91 Cb 0.46 -1.43 -0.08 0.00 -0.26 0.00 0.00 64.21 62.90 1ut2 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ut2 s ALA 92 N -2.25 3.57 0.25 7.33 0.00 -1.26 -4.86 121.76 124.54 1ut2 s ALA 92 Ca 0.69 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1ut2 s ALA 92 Cb -0.27 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1ut2 s ALA 92 CO 0.55 -0.22 -0.02 -1.58 0.00 0.00 0.00 175.76 174.49 1ut2 s TRP 93 N 1.13 1.70 0.04 0.00 0.52 -1.26 -0.98 118.94 120.08 1ut2 s TRP 93 Ca 0.17 -0.84 0.06 0.00 0.02 0.00 0.00 56.10 55.50 1ut2 s TRP 93 Cb -0.14 -0.98 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1ut2 s TRP 93 CO 0.07 0.07 -0.16 0.99 0.02 0.00 0.00 176.95 177.94 1ut2 s THR 94 N -3.28 1.31 -0.26 2.01 2.01 0.42 -4.87 115.64 113.00 1ut2 s THR 94 Ca 0.29 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 1ut2 s THR 94 Cb 0.05 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 1ut2 s THR 94 CO 0.10 0.09 0.02 -0.89 -0.69 0.00 0.00 174.62 173.25 1ut2 s THR 95 N -0.80 3.70 -0.37 -0.82 2.01 -1.26 -1.84 115.64 116.26 1ut2 s THR 95 Ca 0.04 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1ut2 s THR 95 Cb -0.08 -2.80 0.13 0.00 0.01 0.00 0.00 72.50 69.75 1ut2 s THR 95 CO 0.01 0.25 0.19 -0.62 -0.69 0.00 0.00 174.62 173.76 1ut2 s ASP 96 N 1.49 3.53 -0.65 3.53 3.68 0.46 -4.96 116.67 123.74 1ut2 s ASP 96 Ca 0.04 -2.15 -0.13 0.00 2.13 0.00 0.00 52.55 52.45 1ut2 s ASP 96 Cb -0.16 -0.75 0.02 0.00 -1.45 0.00 0.00 42.92 40.58 1ut2 s ASP 96 CO -0.00 -0.33 0.64 0.59 0.13 0.00 0.00 175.17 176.20 1ut2 n ASN 97 N 4.15 -6.13 0.00 -0.34 4.13 -1.26 -2.27 115.26 113.55 1ut2 n ASN 97 Ca 0.06 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1ut2 n ASN 97 Cb 0.38 -3.02 0.00 0.00 -1.54 0.00 0.00 39.78 35.60 1ut2 n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ut2 n GLY 98 N -1.10 1.84 3.63 7.41 0.00 -1.26 -4.99 105.19 110.72 1ut2 n GLY 98 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1ut2 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ut2 s VAL 99 N -2.90 4.35 -0.44 1.61 1.01 -0.96 -1.21 120.40 121.86 1ut2 s VAL 99 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1ut2 s VAL 99 Cb 0.00 -2.88 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1ut2 s VAL 99 CO 0.00 0.54 0.20 0.12 0.00 0.00 0.00 175.10 175.96 1ut2 s PHE 100 N -0.24 2.68 0.22 5.22 5.36 0.84 -0.40 117.98 131.65 1ut2 s PHE 100 Ca 0.06 -2.73 0.07 0.00 -0.96 0.00 0.00 56.93 53.37 1ut2 s PHE 100 Cb -0.12 -2.38 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1ut2 s PHE 100 CO 0.02 -0.80 0.12 1.52 -1.46 0.00 0.00 175.22 174.62 1ut2 s TYR 101 N 0.31 3.02 0.18 10.12 1.13 -0.77 -1.01 117.35 130.33 1ut2 s TYR 101 Ca 0.16 -0.11 -0.30 0.00 -1.41 0.00 0.00 57.07 55.41 1ut2 s TYR 101 Cb -0.24 -1.40 -0.08 0.00 -1.10 0.00 0.00 41.96 39.15 1ut2 s TYR 101 CO -0.03 0.54 0.95 0.21 -2.51 0.00 0.00 175.55 174.70 1ut2 s LYS 102 N -3.47 4.78 0.53 -3.49 2.20 0.18 -0.43 119.74 120.03 1ut2 s LYS 102 Ca 0.31 1.47 0.30 0.00 -0.36 0.00 0.00 55.97 57.69 1ut2 s LYS 102 Cb -0.08 -3.32 1.44 0.00 -1.51 0.00 0.00 37.83 34.35 1ut2 s LYS 102 CO 0.23 0.38 2.04 -0.91 -0.36 0.00 0.00 175.35 176.72 1ut2 h ASN 103 N 4.81 0.00 -3.84 1.43 -0.26 -1.39 -3.42 115.58 112.90 1ut2 h ASN 103 Ca -0.44 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 54.63 1ut2 h ASN 103 Cb 1.20 0.00 -0.32 0.00 -1.06 0.00 0.00 38.32 38.15 1ut2 h ASN 103 CO 0.70 0.10 -0.88 -1.81 -1.06 0.00 0.00 177.43 174.49 1ut2 s ASP 104 N -5.95 2.90 0.90 5.81 1.01 -1.26 -5.07 116.67 115.01 1ut2 s ASP 104 Ca -0.02 -0.49 -0.10 0.00 0.71 0.00 0.00 52.55 52.65 1ut2 s ASP 104 Cb 0.12 -0.92 0.13 0.00 1.01 0.00 0.00 42.92 43.26 1ut2 s ASP 104 CO 0.57 0.21 1.14 0.68 0.21 0.00 0.00 175.17 177.98 1ut2 s VAL 105 N -0.01 2.18 0.00 -1.27 -7.23 -1.26 -4.65 120.40 108.16 1ut2 s VAL 105 Ca -0.07 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1ut2 s VAL 105 Cb -0.14 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1ut2 s VAL 105 CO 0.05 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1ut2 n GLY 106 N 0.08 4.52 2.46 2.32 0.00 -0.47 -4.94 105.19 109.17 1ut2 n GLY 106 Ca 0.12 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1ut2 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ut2 n SER 107 N 0.00 7.05 -4.72 1.61 7.64 -1.04 -4.54 113.62 119.62 1ut2 n SER 107 Ca 0.00 -2.57 -0.38 0.00 1.01 0.00 0.00 58.87 56.94 1ut2 n SER 107 Cb 0.00 -1.47 0.06 0.00 -1.01 0.00 0.00 64.21 61.79 1ut2 n SER 107 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1ut2 n TRP 108 N 4.24 1.91 -3.48 1.43 -0.00 -1.26 -4.54 117.44 115.73 1ut2 n TRP 108 Ca 0.67 0.43 -0.07 0.00 -0.00 0.00 0.00 57.50 58.53 1ut2 n TRP 108 Cb 0.24 -2.28 -0.08 0.00 -0.00 0.00 0.00 31.31 29.20 1ut2 n TRP 108 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1ut2 s GLY 109 N -1.24 -0.47 0.00 5.87 0.00 -1.26 -2.10 107.32 108.12 1ut2 s GLY 109 Ca 0.79 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1ut2 s GLY 109 CO 0.43 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.80 1ut2 n GLY 110 N 5.39 2.33 3.53 0.20 0.00 -0.82 -5.00 105.19 110.82 1ut2 n GLY 110 Ca -0.06 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1ut2 n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ut2 s THR 111 N -2.48 3.59 -0.35 2.61 2.01 -1.26 -1.71 115.64 118.05 1ut2 s THR 111 Ca 0.00 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1ut2 s THR 111 Cb 0.00 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1ut2 s THR 111 CO 0.00 0.57 0.14 -0.63 -0.69 0.00 0.00 174.62 174.01 1ut2 s ILE 112 N -0.46 4.07 0.23 1.82 -1.09 0.08 0.21 121.20 126.06 1ut2 s ILE 112 Ca 0.07 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.19 1ut2 s ILE 112 Cb -0.12 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1ut2 s ILE 112 CO 0.02 -0.17 0.96 -0.83 -1.23 0.00 0.00 174.94 173.69 1ut2 s GLY 113 N 1.46 3.10 -0.23 6.18 0.00 0.23 -0.90 107.32 117.17 1ut2 s GLY 113 Ca -0.00 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 1ut2 s GLY 113 CO 0.04 1.26 -0.06 -0.42 0.00 0.00 0.00 173.10 173.91 1ut2 s ILE 114 N -1.05 3.10 0.14 0.90 -1.09 -1.11 -1.93 121.20 120.17 1ut2 s ILE 114 Ca 0.42 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 58.23 1ut2 s ILE 114 Cb -0.26 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1ut2 s ILE 114 CO 0.33 0.36 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.89 1ut2 s TYR 115 N 1.42 1.84 0.08 3.97 2.02 -0.80 0.18 117.35 126.05 1ut2 s TYR 115 Ca 0.04 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1ut2 s TYR 115 Cb -0.15 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.38 1ut2 s TYR 115 CO -0.05 0.28 1.40 0.08 -1.57 0.00 0.00 175.55 175.70 1ut2 s VAL 116 N -1.59 3.43 -0.83 0.71 1.01 0.24 0.81 120.40 124.19 1ut2 s VAL 116 Ca 0.12 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 1ut2 s VAL 116 Cb -0.08 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.82 1ut2 s VAL 116 CO 0.06 0.05 0.97 -0.62 0.00 0.00 0.00 175.10 175.55 1ut2 s ASP 117 N 1.43 6.54 0.00 3.32 2.15 0.82 -0.80 116.67 130.13 1ut2 s ASP 117 Ca 0.65 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.65 1ut2 s ASP 117 Cb -0.35 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1ut2 s ASP 117 CO 0.29 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1ut2 n GLY 118 N 5.13 -1.76 3.67 2.66 0.00 -1.26 -4.78 105.19 108.84 1ut2 n GLY 118 Ca 0.14 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 1ut2 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ut2 n GLN 119 N -0.21 2.55 -2.84 1.61 -0.00 -1.26 -4.38 117.38 112.84 1ut2 n GLN 119 Ca 0.00 0.93 -0.19 0.00 -0.00 0.00 0.00 57.00 57.74 1ut2 n GLN 119 Cb 0.00 -2.83 -0.01 0.00 -0.00 0.00 0.00 30.24 27.40 1ut2 n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1ut2 n GLN 120 N 6.81 1.95 0.00 2.61 6.02 -0.38 -4.88 117.38 129.51 1ut2 n GLN 120 Ca 0.21 -3.85 0.08 0.00 -0.01 0.00 0.00 57.00 53.43 1ut2 n GLN 120 Cb 0.35 -1.77 0.50 0.00 1.02 0.00 0.00 30.24 30.34 1ut2 n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ut2 n THR 121 N -0.08 0.00 0.41 5.09 -2.24 -1.23 -2.19 114.28 114.05 1ut2 n THR 121 Ca 0.24 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1ut2 n THR 121 Cb 0.66 -0.70 0.18 0.00 -2.10 0.00 0.00 70.33 68.36 1ut2 n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ut2 n ASN 122 N -0.98 3.25 -4.68 3.42 3.02 -1.26 -4.41 115.26 113.63 1ut2 n ASN 122 Ca 0.13 -1.95 -0.47 0.00 -0.03 0.00 0.00 54.58 52.25 1ut2 n ASN 122 Cb 0.06 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1ut2 n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ut2 n THR 123 N 1.36 0.49 -1.75 3.41 -1.04 -0.93 -4.90 114.28 110.91 1ut2 n THR 123 Ca 0.17 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.05 61.69 1ut2 n THR 123 Cb 0.57 -1.89 0.02 0.00 -1.82 0.00 0.00 70.33 67.21 1ut2 n THR 123 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ut2 n PRO 124 N 6.12 2.22 -1.35 -2.82 -0.04 -1.26 -4.81 135.00 133.06 1ut2 n PRO 124 Ca 0.21 0.79 -0.34 0.00 -0.04 0.00 0.00 63.50 64.12 1ut2 n PRO 124 Cb 0.31 -2.59 0.10 0.00 -0.04 0.00 0.00 33.50 31.29 1ut2 n PRO 124 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1ut2 s PRO 125 N -2.38 1.99 0.00 0.54 0.02 -1.26 -4.91 135.00 128.99 1ut2 s PRO 125 Ca 0.61 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1ut2 s PRO 125 Cb -0.46 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1ut2 s PRO 125 CO 0.58 -1.97 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 1ut2 n GLY 126 N 0.53 -0.54 3.27 0.52 0.00 -1.07 -4.99 105.19 102.90 1ut2 n GLY 126 Ca 0.14 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ut2 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ut2 s ASN 127 N -4.00 5.14 0.05 1.61 0.01 -1.26 -2.09 114.94 114.40 1ut2 s ASN 127 Ca 0.00 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 1ut2 s ASN 127 Cb 0.00 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1ut2 s ASN 127 CO 0.00 -0.27 0.11 -0.31 -1.51 0.00 0.00 177.10 175.12 1ut2 s TYR 128 N 1.40 3.30 0.04 2.20 2.02 -0.15 -1.63 117.35 124.53 1ut2 s TYR 128 Ca -0.01 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1ut2 s TYR 128 Cb -0.19 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1ut2 s TYR 128 CO 0.02 0.55 -0.02 0.99 -1.57 0.00 0.00 175.55 175.52 1ut2 s THR 129 N -1.36 0.18 -0.21 -0.71 2.01 -0.55 -0.86 115.64 114.15 1ut2 s THR 129 Ca 0.29 -1.52 -0.04 0.00 0.31 0.00 0.00 61.69 60.73 1ut2 s THR 129 Cb -0.12 -1.14 0.09 0.00 0.01 0.00 0.00 72.50 71.33 1ut2 s THR 129 CO 0.21 -0.84 0.17 -0.22 -0.69 0.00 0.00 174.62 173.25 1ut2 s LEU 130 N -2.48 0.12 -0.11 4.42 2.96 -0.25 -0.84 118.68 122.49 1ut2 s LEU 130 Ca 0.00 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 1ut2 s LEU 130 Cb 0.03 0.08 -0.05 0.00 0.50 0.00 0.00 46.19 46.75 1ut2 s LEU 130 CO -0.07 -0.36 0.31 -0.89 -1.32 0.00 0.00 176.35 174.02 1ut2 s THR 131 N 2.24 5.26 -0.04 3.68 2.01 -1.26 -0.89 115.64 126.64 1ut2 s THR 131 Ca 0.06 0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1ut2 s THR 131 Cb -0.16 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1ut2 s THR 131 CO -0.17 0.46 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.37 1ut2 s LEU 132 N -0.09 1.70 -0.07 4.42 1.43 -0.08 -2.31 118.68 123.67 1ut2 s LEU 132 Ca 0.19 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1ut2 s LEU 132 Cb -0.14 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 1ut2 s LEU 132 CO 0.07 0.05 -0.13 -0.89 0.23 0.00 0.00 176.35 175.67 1ut2 s THR 133 N 0.37 3.11 0.63 5.49 2.01 0.78 0.10 115.64 128.13 1ut2 s THR 133 Ca -0.06 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 1ut2 s THR 133 Cb -0.11 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1ut2 s THR 133 CO 0.01 0.57 1.06 -0.83 -0.69 0.00 0.00 174.62 174.75 1ut2 s GLY 134 N -0.44 2.02 0.00 4.40 0.00 -0.66 -0.94 107.32 111.71 1ut2 s GLY 134 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1ut2 s GLY 134 CO 0.02 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1ut2 n GLY 135 N -1.15 -2.27 3.48 0.20 0.00 -0.90 -1.90 105.19 102.64 1ut2 n GLY 135 Ca 0.09 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1ut2 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ut2 s TYR 136 N -2.26 2.25 -0.09 1.61 1.13 -0.66 0.03 117.35 119.36 1ut2 s TYR 136 Ca 0.00 -0.43 -0.03 0.00 -1.41 0.00 0.00 57.07 55.20 1ut2 s TYR 136 Cb 0.00 -1.10 -0.04 0.00 -1.10 0.00 0.00 41.96 39.72 1ut2 s TYR 136 CO 0.00 0.62 0.05 -0.46 -2.51 0.00 0.00 175.55 173.25 1ut2 s TRP 137 N -2.61 3.30 0.00 -3.49 -0.11 0.34 -0.70 118.94 115.66 1ut2 s TRP 137 Ca 0.30 0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.91 1ut2 s TRP 137 Cb -0.02 -1.83 0.00 0.00 -1.50 0.00 0.00 33.47 30.12 1ut2 s TRP 137 CO 0.15 0.56 0.00 0.00 -4.62 0.00 0.00 176.95 173.03