#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 2.60 -0.11 1.61 1.04 -1.26 -4.90 113.70 112.68 1ut2 s SER 1 Ca 0.00 -0.78 -0.18 0.00 0.48 0.00 0.00 55.95 55.47 1ut2 s SER 1 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1ut2 s SER 1 CO 0.00 0.00 0.46 0.12 0.98 0.00 0.00 173.24 174.80 1ut2 s PHE 2 N -1.67 3.53 -0.30 5.02 2.19 -1.26 -2.83 117.98 122.65 1ut2 s PHE 2 Ca 0.11 0.88 -0.07 0.00 0.33 0.00 0.00 56.93 58.18 1ut2 s PHE 2 Cb -0.08 -2.52 0.01 0.00 -1.31 0.00 0.00 43.02 39.12 1ut2 s PHE 2 CO 0.05 0.21 0.09 0.99 1.83 0.00 0.00 175.22 178.40 1ut2 s THR 3 N 0.48 4.05 -0.07 0.12 2.01 0.12 -4.98 115.64 117.37 1ut2 s THR 3 Ca 0.25 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1ut2 s THR 3 Cb -0.15 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1ut2 s THR 3 CO 0.10 0.06 1.78 -2.84 -0.69 0.00 0.00 174.62 173.03 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 -1.05 0.83 0.45 -0.33 0.00 0.00 177.00 176.93 1ut2 n SER 5 N 7.81 -2.88 0.00 2.53 2.88 -0.80 -4.94 113.62 118.22 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 1.68 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 1.98 -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 4.01 -0.24 2.61 -4.23 -1.26 -4.55 115.64 109.04 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 -0.36 0.08 -0.89 -0.54 0.00 0.00 174.62 172.92 1ut2 s THR 8 N -2.58 4.57 0.25 3.99 2.01 -1.26 -1.65 115.64 120.97 1ut2 s THR 8 Ca 0.49 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1ut2 s THR 8 Cb -0.10 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 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 1.33 -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 -1.36 0.06 -1.08 0.00 0.00 0.00 173.10 170.75 1ut2 s THR 10 N -2.07 -0.04 -0.38 0.90 -1.32 -1.26 -0.90 115.64 110.57 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 0.00 174.62 172.03 1ut2 s THR 11 N 0.70 4.09 -0.19 5.08 2.01 -0.07 -4.93 115.64 122.34 1ut2 s THR 11 Ca -0.06 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.65 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 0.03 -0.54 -0.69 0.00 0.00 174.62 173.05 1ut2 s LYS 12 N 1.43 3.77 -0.07 4.92 1.02 -1.26 -1.10 119.74 128.45 1ut2 s LYS 12 Ca 0.01 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1ut2 s LYS 12 Cb -0.21 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1ut2 s LYS 12 CO 0.03 0.14 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.34 1ut2 s LEU 13 N 0.70 1.44 -0.41 3.17 2.96 0.06 -4.46 118.68 122.15 1ut2 s LEU 13 Ca 0.01 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 1ut2 s LEU 13 Cb -0.14 -0.72 0.05 0.00 0.50 0.00 0.00 46.19 45.88 1ut2 s LEU 13 CO 0.02 -0.03 0.26 -0.89 -1.32 0.00 0.00 176.35 174.40 1ut2 s THR 14 N 0.98 4.65 0.17 3.68 2.01 -0.90 -0.54 115.64 125.69 1ut2 s THR 14 Ca -0.09 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 1ut2 s THR 14 Cb -0.15 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1ut2 s THR 14 CO 0.00 -0.38 0.97 -0.69 -0.69 0.00 0.00 174.62 173.83 1ut2 s VAL 15 N 1.54 4.26 0.23 3.82 1.01 0.05 -0.66 120.40 130.65 1ut2 s VAL 15 Ca 0.03 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 1ut2 s VAL 15 Cb -0.21 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1ut2 s VAL 15 CO 0.06 0.38 0.21 0.42 0.00 0.00 0.00 175.10 176.17 1ut2 s THR 16 N -0.49 0.00 0.95 3.92 -4.23 0.14 -1.53 115.64 114.40 1ut2 s THR 16 Ca 0.45 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1ut2 s THR 16 Cb -0.25 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.29 1ut2 s THR 16 CO 0.31 0.00 1.16 -1.61 -0.54 0.00 0.00 174.62 173.95 1ut2 s GLU 17 N -4.00 0.80 0.53 3.99 0.41 -1.26 -2.07 118.70 117.10 1ut2 s GLU 17 Ca 0.36 0.13 0.32 0.00 -0.41 0.00 0.00 54.97 55.37 1ut2 s GLU 17 Cb 0.05 -1.81 1.48 0.00 -1.78 0.00 0.00 34.13 32.07 1ut2 s GLU 17 CO 0.14 -2.40 1.87 1.49 -0.49 0.00 0.00 175.26 175.87 1ut2 h GLU 18 N -1.64 0.02 -4.18 1.61 4.57 -1.98 -3.19 114.58 109.79 1ut2 h GLU 18 Ca -0.49 -0.00 -0.75 0.00 -1.18 0.00 0.00 59.36 56.94 1ut2 h GLU 18 Cb 1.31 -0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.66 1ut2 h GLU 18 CO 0.55 0.01 -0.07 0.00 -1.18 0.00 0.00 179.01 178.33 1ut2 s GLN 20 N 1.57 3.47 -0.44 0.00 -2.07 -1.21 -5.05 119.66 115.93 1ut2 s GLN 20 Ca 0.08 -0.59 -0.14 0.00 -1.82 0.00 0.00 55.36 52.89 1ut2 s GLN 20 Cb -0.24 -3.05 0.05 0.00 -1.09 0.00 0.00 33.01 28.68 1ut2 s GLN 20 CO 0.01 -0.13 0.33 0.08 -1.32 0.00 0.00 175.29 174.26 1ut2 s VAL 21 N 1.34 5.08 0.14 3.63 1.01 -1.26 -5.07 120.40 125.27 1ut2 s VAL 21 Ca 0.04 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1ut2 s VAL 21 Cb -0.14 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1ut2 s VAL 21 CO -0.01 -0.44 0.76 -0.60 0.00 0.00 0.00 175.10 174.81 1ut2 s ARG 22 N 1.63 4.53 -0.40 2.72 6.06 -1.26 -5.05 118.95 127.17 1ut2 s ARG 22 Ca 0.04 1.11 0.01 0.00 -2.50 0.00 0.00 55.73 54.40 1ut2 s ARG 22 Cb -0.22 -3.28 0.13 0.00 0.06 0.00 0.00 34.95 31.64 1ut2 s ARG 22 CO 0.07 0.52 0.20 0.08 -2.50 0.00 0.00 175.30 173.67 1ut2 s VAL 23 N -0.92 1.28 0.00 7.11 1.01 -1.26 -4.98 120.40 122.64 1ut2 s VAL 23 Ca 0.36 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1ut2 s VAL 23 Cb -0.22 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1ut2 s VAL 23 CO 0.25 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1ut2 n GLY 24 N 3.87 -1.63 0.04 4.51 0.00 -1.26 -4.81 105.19 105.91 1ut2 n GLY 24 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.00 -0.34 1.61 9.92 -1.26 -2.52 116.55 123.96 1ut2 n ASP 25 Ca 0.00 0.06 0.36 0.00 -0.53 0.00 0.00 54.79 54.68 1ut2 n ASP 25 Cb 0.00 -0.01 0.76 0.00 -0.64 0.00 0.00 41.12 41.23 1ut2 n ASP 25 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1ut2 h LEU 26 N 0.00 0.00 -8.72 0.64 5.85 -2.04 -3.42 115.31 107.62 1ut2 h LEU 26 Ca 0.01 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.23 1ut2 h LEU 26 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ut2 h LEU 26 CO -0.00 0.00 1.58 0.42 -0.34 0.00 0.00 178.44 180.10 1ut2 s THR 27 N -4.94 3.02 -1.02 1.05 -4.23 -1.05 -4.99 115.64 103.48 1ut2 s THR 27 Ca -0.05 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.34 1ut2 s THR 27 Cb 0.23 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 71.22 1ut2 s THR 27 CO 0.81 -0.05 1.11 0.54 -0.54 0.00 0.00 174.62 176.50 1ut2 s VAL 28 N 10.90 5.35 0.23 2.29 0.11 -1.26 -5.02 120.40 133.00 1ut2 s VAL 28 Ca 0.97 -2.53 0.04 0.00 -2.93 0.00 0.00 61.98 57.53 1ut2 s VAL 28 Cb -0.22 -4.69 -0.03 0.00 -1.53 0.00 0.00 36.38 29.91 1ut2 s VAL 28 CO 0.29 -1.34 0.36 0.00 -3.33 0.00 0.00 175.10 171.08 1ut2 s ALA 29 N 0.79 3.92 -0.21 1.54 0.00 -1.26 -2.13 121.76 124.41 1ut2 s ALA 29 Ca 0.31 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 1ut2 s ALA 29 Cb -0.07 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.34 1ut2 s ALA 29 CO -0.07 0.28 0.56 0.21 0.00 0.00 0.00 175.76 176.74 1ut2 s LYS 30 N -3.86 0.64 0.32 0.00 2.47 0.16 -4.87 119.74 114.60 1ut2 s LYS 30 Ca 0.34 0.80 -0.16 0.00 -1.56 0.00 0.00 55.97 55.39 1ut2 s LYS 30 Cb -0.09 0.29 -0.09 0.00 -1.46 0.00 0.00 37.83 36.48 1ut2 s LYS 30 CO 0.29 -0.09 0.75 0.95 0.16 0.00 0.00 175.35 177.42 1ut2 s THR 31 N 0.41 4.64 0.58 3.43 -4.23 -1.26 -0.68 115.64 118.54 1ut2 s THR 31 Ca -0.01 1.03 0.31 0.00 -1.18 0.00 0.00 61.69 61.84 1ut2 s THR 31 Cb -0.04 -3.64 0.44 0.00 1.34 0.00 0.00 72.50 70.60 1ut2 s THR 31 CO -0.01 -0.14 1.72 0.03 -0.54 0.00 0.00 174.62 175.68 1ut2 h ARG 32 N 2.38 0.00 -0.31 3.99 3.08 -1.70 0.22 114.38 122.05 1ut2 h ARG 32 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.44 1ut2 h ARG 32 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1ut2 h ARG 32 CO 0.65 0.00 -0.34 0.78 -1.07 0.00 0.00 179.97 179.99 1ut2 h GLY 33 N 0.00 0.74 1.85 0.04 0.00 -1.86 -2.81 103.07 101.02 1ut2 h GLY 33 Ca 0.40 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ut2 h GLY 33 CO -0.00 0.63 0.00 -1.06 0.00 0.00 0.00 176.54 176.11 1ut2 n GLN 34 N -4.06 0.13 -0.62 4.80 6.02 0.77 -4.06 117.38 120.35 1ut2 n GLN 34 Ca -0.01 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1ut2 n GLN 34 Cb 0.49 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 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 4.68 -4.85 1.08 4.77 -1.06 -4.81 117.00 115.39 1ut2 n LEU 35 Ca 0.08 -2.43 -0.29 0.00 -0.03 0.00 0.00 56.01 53.34 1ut2 n LEU 35 Cb 0.25 -1.10 0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1ut2 n LEU 35 CO 0.21 1.12 0.76 0.42 -1.33 0.00 0.00 177.39 178.57 1ut2 s THR 36 N 0.65 1.99 0.42 -5.08 -4.23 -1.26 -1.25 115.64 106.87 1ut2 s THR 36 Ca 0.24 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.50 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 -4.37 6.22 0.00 3.99 3.68 -1.26 -2.13 116.67 122.80 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 0.00 175.17 174.90 1ut2 n ALA 38 N 0.01 0.00 -1.68 3.66 0.00 0.02 -4.90 120.51 117.63 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 1.10 -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 16.98 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 2.67 4.51 0.00 0.00 0.04 -1.26 0.82 135.00 141.78 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 4.03 0.00 -2.29 0.56 2.08 0.13 -4.95 119.36 118.92 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 2.97 7.39 0.00 -1.26 -4.92 105.19 115.85 1ut2 n GLY 42 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.27 0.24 -0.17 1.61 0.04 -1.26 -2.73 135.00 132.47 1ut2 s PRO 43 Ca 0.00 -0.36 -0.00 0.00 0.04 0.00 0.00 61.00 60.67 1ut2 s PRO 43 Cb 0.00 0.09 -0.00 0.00 0.04 0.00 0.00 34.50 34.63 1ut2 s PRO 43 CO 0.00 -0.04 -0.14 0.08 0.04 0.00 0.00 177.00 176.94 1ut2 s VAL 44 N -0.96 2.73 0.06 -0.36 1.01 -0.04 -4.94 120.40 117.90 1ut2 s VAL 44 Ca -0.11 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1ut2 s VAL 44 Cb -0.06 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1ut2 s VAL 44 CO -0.00 0.50 0.91 -0.89 0.00 0.00 0.00 175.10 175.62 1ut2 s THR 45 N 0.96 4.68 -0.10 3.92 2.01 -1.26 -0.15 115.64 125.69 1ut2 s THR 45 Ca -0.02 1.94 0.03 0.00 0.31 0.00 0.00 61.69 63.95 1ut2 s THR 45 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1ut2 s THR 45 CO -0.02 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.28 1ut2 s VAL 46 N 0.30 1.91 -0.46 3.82 1.01 0.43 -4.96 120.40 122.45 1ut2 s VAL 46 Ca 0.46 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1ut2 s VAL 46 Cb -0.22 -1.67 0.14 0.00 0.00 0.00 0.00 36.38 34.63 1ut2 s VAL 46 CO 0.27 0.53 0.27 -1.58 0.00 0.00 0.00 175.10 174.59 1ut2 s GLN 47 N 0.50 1.35 -0.07 2.72 2.00 -1.26 -1.36 119.66 123.54 1ut2 s GLN 47 Ca -0.16 -2.12 -0.21 0.00 -2.00 0.00 0.00 55.36 50.87 1ut2 s GLN 47 Cb -0.17 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.25 1ut2 s GLN 47 CO 0.06 -1.19 0.61 0.00 -0.50 0.00 0.00 175.29 174.27 1ut2 s ALA 48 N 0.18 3.41 0.02 1.58 0.00 -0.46 -5.03 121.76 121.46 1ut2 s ALA 48 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1ut2 s ALA 48 Cb -0.20 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1ut2 s ALA 48 CO -0.03 -0.01 -0.07 -0.51 0.00 0.00 0.00 175.76 175.15 1ut2 s LEU 49 N 0.51 2.13 -1.47 0.00 1.43 -1.26 -4.22 118.68 115.81 1ut2 s LEU 49 Ca 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1ut2 s LEU 49 Cb -0.17 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1ut2 s LEU 49 CO 0.16 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ut2 n GLY 50 N 2.19 0.78 2.21 -3.19 0.00 -1.26 -4.89 105.19 101.04 1ut2 n GLY 50 Ca -0.18 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.73 0.05 0.00 0.00 4.13 -1.26 -1.33 115.26 116.13 1ut2 n ASN 52 Ca 0.49 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.49 1ut2 n ASN 52 Cb 0.81 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 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 -1.23 1.38 -2.39 5.41 0.00 -1.26 -4.21 120.51 118.21 1ut2 n ALA 53 Ca 0.15 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.74 1ut2 n ALA 53 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.38 1.48 -0.39 0.00 1.81 -1.22 -4.94 118.95 115.32 1ut2 s ARG 54 Ca 0.00 -1.77 -0.15 0.00 -1.72 0.00 0.00 55.73 52.09 1ut2 s ARG 54 Cb 0.00 -0.85 0.01 0.00 -0.45 0.00 0.00 34.95 33.66 1ut2 s ARG 54 CO 0.00 -0.08 0.30 -0.65 -0.68 0.00 0.00 175.30 174.20 1ut2 s GLN 55 N -3.83 3.15 0.31 3.54 -0.21 -1.25 -2.19 119.66 119.19 1ut2 s GLN 55 Ca 0.31 -0.86 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1ut2 s GLN 55 Cb 0.06 -3.92 -0.12 0.00 1.00 0.00 0.00 33.01 30.02 1ut2 s GLN 55 CO 0.11 -0.67 1.38 0.28 -2.12 0.00 0.00 175.29 174.28 1ut2 n VAL 56 N 5.18 1.58 -3.85 1.09 0.31 -1.26 -0.54 118.33 120.84 1ut2 n VAL 56 Ca -0.11 -0.39 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 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 -0.66 -0.34 -0.06 3.52 0.00 0.10 0.14 121.76 124.47 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 22.87 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 -0.48 -2.12 118.68 116.60 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 -0.01 119.74 127.43 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 -2.64 -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 1.03 3.42 0.74 3.13 0.00 -0.34 -0.16 121.76 129.57 1ut2 s ALA 60 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 1ut2 s ALA 60 Cb -0.15 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1ut2 s ALA 60 CO -0.04 0.40 0.96 -0.25 0.00 0.00 0.00 175.76 176.83 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 -0.39 0.50 -0.45 -3.53 1.35 -1.95 0.78 112.91 109.23 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 -3.89 4.50 0.00 5.36 5.75 -1.26 -3.94 116.55 123.08 1ut2 n ASP 63 Ca 0.04 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.09 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 0.92 -3.73 -1.12 3.02 0.27 -4.51 115.26 110.51 1ut2 n ASN 64 Ca 0.22 -1.17 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1ut2 n ASN 64 Cb 0.99 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.08 1ut2 n ASN 64 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ut2 s PHE 65 N -0.17 -0.18 -0.30 3.10 5.36 -1.24 -1.12 117.98 123.43 1ut2 s PHE 65 Ca 0.00 0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 55.97 1ut2 s PHE 65 Cb 0.00 0.13 0.17 0.00 -0.34 0.00 0.00 43.02 42.99 1ut2 s PHE 65 CO 0.00 -0.48 1.08 -2.00 -1.46 0.00 0.00 175.22 172.35 1ut2 s GLU 66 N -2.08 0.22 -1.16 10.12 2.12 -0.36 -4.94 118.70 122.63 1ut2 s GLU 66 Ca -0.08 0.54 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 1ut2 s GLU 66 Cb -0.02 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 1ut2 s GLU 66 CO -0.00 -0.07 0.98 1.04 -0.54 0.00 0.00 175.26 176.66 1ut2 n GLN 67 N 4.74 -5.36 -3.65 4.30 3.00 -1.26 -2.97 117.38 116.19 1ut2 n GLN 67 Ca -0.09 0.86 -0.24 0.00 -0.01 0.00 0.00 57.00 57.51 1ut2 n GLN 67 Cb 0.54 -5.86 0.07 0.00 0.00 0.00 0.00 30.24 24.99 1ut2 n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ut2 n GLY 68 N -1.16 -0.50 2.99 1.08 0.00 -1.26 -5.00 105.19 101.33 1ut2 n GLY 68 Ca -0.23 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1ut2 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ut2 s LYS 69 N -6.25 0.15 0.11 1.61 -0.14 -1.16 -5.08 119.74 108.99 1ut2 s LYS 69 Ca 0.50 0.48 -0.05 0.00 -1.36 0.00 0.00 55.97 55.54 1ut2 s LYS 69 Cb -0.23 -0.15 -0.05 0.00 -1.68 0.00 0.00 37.83 35.72 1ut2 s LYS 69 CO 0.75 -0.18 0.35 -0.06 -0.76 0.00 0.00 175.35 175.46 1ut2 s PHE 70 N 1.32 3.50 -0.10 3.18 0.40 -1.26 -1.22 117.98 123.80 1ut2 s PHE 70 Ca -0.08 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.51 1ut2 s PHE 70 Cb -0.11 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.52 1ut2 s PHE 70 CO -0.07 0.48 0.85 -0.59 0.70 0.00 0.00 175.22 176.58 1ut2 s PHE 71 N -1.58 -0.50 0.18 0.36 -0.12 -0.27 -1.42 117.98 114.63 1ut2 s PHE 71 Ca 0.38 0.83 -0.23 0.00 -0.05 0.00 0.00 56.93 57.86 1ut2 s PHE 71 Cb -0.13 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.62 1ut2 s PHE 71 CO 0.23 -0.48 0.75 -0.51 -0.05 0.00 0.00 175.22 175.17 1ut2 s LEU 72 N -1.22 4.50 -0.09 -1.99 1.02 0.42 -4.49 118.68 116.84 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 -3.39 -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 4.55 0.66 -0.59 1.10 -0.02 -0.98 121.20 124.64 1ut2 s ILE 73 Ca 0.38 -0.15 -0.14 0.00 -0.51 0.00 0.00 60.65 60.23 1ut2 s ILE 73 Cb -0.21 -2.93 -0.00 0.00 0.15 0.00 0.00 42.46 39.47 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 0.11 4.50 0.15 0.34 -1.47 113.70 121.81 1ut2 s SER 74 Ca 0.13 1.81 0.06 0.00 0.70 0.00 0.00 55.95 58.65 1ut2 s SER 74 Cb -0.11 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.02 1ut2 s SER 74 CO 0.03 -1.45 1.14 0.47 1.20 0.00 0.00 173.24 174.62 1ut2 n ASP 75 N -2.59 0.17 -1.38 5.45 9.92 -0.65 -0.67 116.55 126.79 1ut2 n ASP 75 Ca 0.09 0.52 0.11 0.00 -0.53 0.00 0.00 54.79 54.99 1ut2 n ASP 75 Cb 0.53 -0.54 0.33 0.00 -0.64 0.00 0.00 41.12 40.80 1ut2 n ASP 75 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1ut2 n ASN 76 N -1.69 4.01 -3.12 -2.24 2.04 -1.26 -4.95 115.26 108.03 1ut2 n ASN 76 Ca -0.00 -2.06 -0.20 0.00 -0.44 0.00 0.00 54.58 51.88 1ut2 n ASN 76 Cb 0.09 -0.50 -0.00 0.00 -2.53 0.00 0.00 39.78 36.83 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 1.57 -3.66 0.00 0.53 4.13 0.15 -4.75 115.26 113.24 1ut2 n ASN 77 Ca 0.25 -0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1ut2 n ASN 77 Cb 0.65 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.83 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 -3.48 0.00 -1.98 3.52 0.63 -1.26 -4.99 116.66 109.09 1ut2 n ARG 78 Ca -0.04 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.48 1ut2 n ARG 78 Cb 0.56 -0.01 -0.02 0.00 0.45 0.00 0.00 32.46 33.44 1ut2 n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ut2 s ASP 79 N -4.48 6.61 0.01 6.15 1.01 -1.26 -4.86 116.67 119.85 1ut2 s ASP 79 Ca 0.00 2.76 0.01 0.00 0.71 0.00 0.00 52.55 56.04 1ut2 s ASP 79 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1ut2 s ASP 79 CO 0.00 -0.70 -0.05 -1.59 0.21 0.00 0.00 175.17 173.04 1ut2 s LYS 80 N -1.08 0.36 -0.33 8.23 -2.85 -1.26 -0.50 119.74 122.31 1ut2 s LYS 80 Ca 0.56 -0.31 -0.03 0.00 -1.00 0.00 0.00 55.97 55.19 1ut2 s LYS 80 Cb -0.43 -0.27 0.06 0.00 -2.06 0.00 0.00 37.83 35.13 1ut2 s LYS 80 CO 0.50 0.07 0.07 -1.17 0.10 0.00 0.00 175.35 174.91 1ut2 s LEU 81 N -0.52 4.28 0.03 2.77 2.96 -0.15 -4.92 118.68 123.14 1ut2 s LEU 81 Ca -0.02 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.18 1ut2 s LEU 81 Cb -0.04 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 1ut2 s LEU 81 CO -0.00 -0.34 1.41 -0.31 -1.32 0.00 0.00 176.35 175.80 1ut2 s TYR 82 N 1.27 2.92 0.23 5.38 1.51 -1.26 -0.43 117.35 126.96 1ut2 s TYR 82 Ca -0.02 0.82 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 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 -2.51 -0.04 0.14 -1.11 0.00 0.00 175.55 172.03 1ut2 s VAL 83 N 2.10 1.25 -0.10 0.71 -7.23 -0.51 -0.13 120.40 116.50 1ut2 s VAL 83 Ca 0.65 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 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 0.00 175.10 174.79 1ut2 s ASN 84 N -3.33 4.35 -0.26 4.85 0.01 0.24 -4.17 114.94 116.62 1ut2 s ASN 84 Ca 0.27 -0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.15 1ut2 s ASN 84 Cb 0.04 -1.38 -0.04 0.00 0.41 0.00 0.00 41.25 40.29 1ut2 s ASN 84 CO 0.09 0.25 0.14 -0.63 -1.51 0.00 0.00 177.10 175.44 1ut2 s ILE 85 N -0.17 4.90 -0.13 0.60 1.01 -1.26 -1.92 121.20 124.24 1ut2 s ILE 85 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 1ut2 s ILE 85 Cb -0.13 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.07 1ut2 s ILE 85 CO 0.03 0.29 0.31 0.00 0.00 0.00 0.00 174.94 175.57 1ut2 s ARG 86 N 1.64 0.30 0.47 2.79 1.70 -0.74 -5.00 118.95 120.11 1ut2 s ARG 86 Ca 0.07 0.59 -0.23 0.00 -0.47 0.00 0.00 55.73 55.68 1ut2 s ARG 86 Cb -0.15 -0.03 -0.07 0.00 -0.57 0.00 0.00 34.95 34.13 1ut2 s ARG 86 CO 0.08 -0.14 1.23 -1.25 -1.08 0.00 0.00 175.30 174.14 1ut2 s PRO 87 N 1.06 3.66 0.06 3.89 0.04 -1.26 0.22 135.00 142.67 1ut2 s PRO 87 Ca -0.07 1.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1ut2 s PRO 87 Cb -0.08 -2.44 -0.12 0.00 0.04 0.00 0.00 34.50 31.89 1ut2 s PRO 87 CO -0.08 -0.68 1.39 0.52 0.04 0.00 0.00 177.00 178.19 1ut2 h MET 88 N 2.04 -0.71 -6.50 4.56 2.86 -0.96 -3.38 114.93 112.85 1ut2 h MET 88 Ca -0.50 0.05 -0.53 0.00 -2.06 0.00 0.00 59.70 56.66 1ut2 h MET 88 Cb 1.26 0.16 0.02 0.00 0.06 0.00 0.00 31.60 33.10 1ut2 h MET 88 CO 0.60 -0.47 0.84 0.16 1.06 0.00 0.00 176.91 179.10 1ut2 s ASP 89 N -3.68 6.74 0.00 1.22 3.84 -1.26 -4.80 116.67 118.72 1ut2 s ASP 89 Ca -0.13 2.37 0.00 0.00 -0.00 0.00 0.00 52.55 54.79 1ut2 s ASP 89 Cb 0.03 -2.58 0.00 0.00 -1.38 0.00 0.00 42.92 38.99 1ut2 s ASP 89 CO 0.42 -0.75 0.00 0.59 -0.00 0.00 0.00 175.17 175.43 1ut2 n ASN 90 N 4.66 0.00 -4.69 2.11 5.03 -1.26 -4.84 115.26 116.26 1ut2 n ASN 90 Ca 0.13 -0.40 -0.39 0.00 0.87 0.00 0.00 54.58 54.79 1ut2 n ASN 90 Cb 0.41 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.21 1ut2 n ASN 90 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ut2 n SER 91 N 1.36 2.07 -4.61 6.41 7.64 -1.26 -4.93 113.62 120.30 1ut2 n SER 91 Ca 0.00 0.96 -0.42 0.00 1.01 0.00 0.00 58.87 60.42 1ut2 n SER 91 Cb 0.00 -1.50 -0.05 0.00 -1.01 0.00 0.00 64.21 61.65 1ut2 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ut2 s ALA 92 N -1.33 3.53 0.35 -0.43 0.00 -1.26 -4.81 121.76 117.82 1ut2 s ALA 92 Ca 0.70 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.34 1ut2 s ALA 92 Cb -0.44 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1ut2 s ALA 92 CO 0.51 -1.19 -0.04 -1.58 0.00 0.00 0.00 175.76 173.45 1ut2 s TRP 93 N 2.95 2.47 0.04 0.00 0.52 -1.26 -0.62 118.94 123.03 1ut2 s TRP 93 Ca 0.32 -0.49 0.06 0.00 0.02 0.00 0.00 56.10 56.02 1ut2 s TRP 93 Cb -0.14 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1ut2 s TRP 93 CO 0.12 0.53 -0.17 0.99 0.02 0.00 0.00 176.95 178.45 1ut2 s THR 94 N -2.58 1.32 -0.26 2.01 2.01 0.78 -4.81 115.64 114.11 1ut2 s THR 94 Ca 0.34 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 1ut2 s THR 94 Cb 0.02 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.36 1ut2 s THR 94 CO 0.18 0.10 0.02 -0.89 -0.69 0.00 0.00 174.62 173.34 1ut2 s THR 95 N -0.80 3.71 -0.37 -0.82 2.01 -1.26 -2.00 115.64 116.11 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 0.26 -4.96 116.67 123.55 1ut2 s ASP 96 Ca 0.04 -2.15 -0.12 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 40.59 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 -2.26 115.26 113.55 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 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.59 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 1.77 3.66 7.41 0.00 -1.26 -4.99 105.19 110.68 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 -2.92 4.56 -0.54 1.61 1.01 -0.96 -1.20 120.40 121.96 1ut2 s VAL 99 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1ut2 s VAL 99 Cb 0.00 -2.99 0.15 0.00 0.00 0.00 0.00 36.38 33.54 1ut2 s VAL 99 CO 0.00 0.54 0.34 0.12 0.00 0.00 0.00 175.10 176.10 1ut2 s PHE 100 N -0.27 2.66 0.22 5.22 5.36 0.99 -0.57 117.98 131.59 1ut2 s PHE 100 Ca 0.07 -2.88 0.05 0.00 -0.96 0.00 0.00 56.93 53.22 1ut2 s PHE 100 Cb -0.12 -2.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1ut2 s PHE 100 CO 0.02 -0.70 0.27 1.52 -1.46 0.00 0.00 175.22 174.86 1ut2 s TYR 101 N -0.42 3.30 0.24 10.12 1.13 -0.85 -1.38 117.35 129.49 1ut2 s TYR 101 Ca 0.22 -0.04 -0.29 0.00 -1.41 0.00 0.00 57.07 55.55 1ut2 s TYR 101 Cb -0.15 -1.51 -0.09 0.00 -1.10 0.00 0.00 41.96 39.11 1ut2 s TYR 101 CO -0.08 0.49 0.93 0.21 -2.51 0.00 0.00 175.55 174.59 1ut2 s LYS 102 N -3.74 4.82 0.17 -3.49 2.20 0.12 -0.16 119.74 119.66 1ut2 s LYS 102 Ca 0.33 1.46 0.20 0.00 -0.36 0.00 0.00 55.97 57.60 1ut2 s LYS 102 Cb -0.09 -3.25 0.85 0.00 -1.51 0.00 0.00 37.83 33.83 1ut2 s LYS 102 CO 0.27 0.51 1.62 0.09 -0.36 0.00 0.00 175.35 177.47 1ut2 n ASN 103 N 1.43 0.43 -4.41 1.43 5.03 0.20 -4.65 115.26 114.72 1ut2 n ASN 103 Ca -0.02 0.61 -0.23 0.00 0.87 0.00 0.00 54.58 55.81 1ut2 n ASN 103 Cb 0.47 -0.70 -0.10 0.00 -1.02 0.00 0.00 39.78 38.43 1ut2 n ASN 103 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ut2 s ASP 104 N -3.79 3.17 0.39 6.41 2.15 -1.26 -5.09 116.67 118.64 1ut2 s ASP 104 Ca 0.05 -0.98 -0.06 0.00 0.43 0.00 0.00 52.55 51.99 1ut2 s ASP 104 Cb 0.09 -0.23 -0.05 0.00 -0.30 0.00 0.00 42.92 42.43 1ut2 s ASP 104 CO 0.34 -0.01 0.69 0.68 -0.17 0.00 0.00 175.17 176.70 1ut2 s VAL 105 N -2.44 4.92 0.00 1.11 -7.23 -1.26 -4.42 120.40 111.08 1ut2 s VAL 105 Ca 0.25 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1ut2 s VAL 105 Cb -0.04 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1ut2 s VAL 105 CO 0.11 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1ut2 n GLY 106 N -1.53 4.25 3.15 2.32 0.00 -0.44 -4.93 105.19 108.00 1ut2 n GLY 106 Ca -0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 3.91 -4.78 1.61 7.64 -0.96 -4.54 113.62 116.50 1ut2 n SER 107 Ca 0.00 -2.82 -0.34 0.00 1.01 0.00 0.00 58.87 56.71 1ut2 n SER 107 Cb 0.00 -1.61 0.02 0.00 -1.01 0.00 0.00 64.21 61.61 1ut2 n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1ut2 s TRP 108 N 4.65 2.70 -0.20 1.43 -0.00 -1.26 -4.73 118.94 121.53 1ut2 s TRP 108 Ca 0.53 1.55 -0.07 0.00 -0.00 0.00 0.00 56.10 58.10 1ut2 s TRP 108 Cb 0.09 -3.21 0.09 0.00 -0.00 0.00 0.00 33.47 30.44 1ut2 s TRP 108 CO 0.02 -1.53 0.43 0.20 -0.00 0.00 0.00 176.95 176.07 1ut2 s GLY 109 N -2.16 -0.37 0.00 5.86 0.00 -1.26 -1.36 107.32 108.03 1ut2 s GLY 109 Ca 0.70 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1ut2 s GLY 109 CO 0.32 2.32 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1ut2 n GLY 110 N 5.22 1.40 3.53 0.20 0.00 -0.46 -5.01 105.19 110.07 1ut2 n GLY 110 Ca -0.11 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.13 3.59 -0.34 2.61 2.01 -1.26 -0.43 115.64 119.69 1ut2 s THR 111 Ca 0.00 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 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 0.79 -0.20 121.20 126.36 1ut2 s ILE 112 Ca 0.07 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.20 1ut2 s ILE 112 Cb -0.12 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.41 1ut2 s ILE 112 CO 0.02 -0.16 0.96 -0.83 -1.23 0.00 0.00 174.94 173.70 1ut2 s GLY 113 N 1.46 3.10 -0.23 6.18 0.00 0.13 -0.86 107.32 117.11 1ut2 s GLY 113 Ca 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 1ut2 s GLY 113 CO 0.04 1.25 -0.06 -0.42 0.00 0.00 0.00 173.10 173.91 1ut2 s ILE 114 N -1.05 3.09 0.14 0.90 -1.09 -1.11 -1.78 121.20 120.30 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 0.37 -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 -0.81 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 55.99 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 -1.60 3.43 -0.83 0.71 1.01 0.24 0.81 120.40 124.18 1ut2 s VAL 116 Ca 0.12 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 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 0.96 -0.62 0.00 0.00 0.00 175.10 175.55 1ut2 s ASP 117 N 1.41 6.54 0.00 3.32 2.15 0.82 -0.80 116.67 130.11 1ut2 s ASP 117 Ca 0.65 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.64 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 5.12 -1.77 3.67 2.66 0.00 -1.26 -4.78 105.19 108.83 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 -0.22 2.54 -2.83 1.61 -0.00 -1.26 -4.38 117.38 112.83 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 27.41 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 6.80 1.96 0.00 2.61 6.02 -0.38 -4.89 117.38 129.50 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 -2.19 114.28 114.04 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 -0.71 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 -4.41 115.26 113.62 1ut2 n ASN 122 Ca 0.13 -1.95 -0.47 0.00 -0.03 0.00 0.00 54.58 52.26 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 -4.90 114.28 110.92 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 -1.90 0.02 0.00 -1.82 0.00 0.00 70.33 67.20 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 6.14 2.22 -1.35 -2.82 -0.04 -1.26 -4.76 135.00 133.13 1ut2 n PRO 124 Ca 0.21 0.79 -0.34 0.00 -0.04 0.00 0.00 63.50 64.11 1ut2 n PRO 124 Cb 0.32 -2.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.30 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 -2.37 1.99 0.00 0.54 0.02 -1.26 -4.87 135.00 129.04 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 -0.58 -4.95 105.19 103.43 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 -0.77 114.94 115.72 1ut2 s ASN 127 Ca 0.00 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1ut2 s ASN 127 Cb 0.00 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 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 0.30 -1.64 117.35 124.98 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 0.19 -0.21 -0.71 2.01 -0.54 -0.76 115.64 114.26 1ut2 s THR 129 Ca 0.29 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.72 1ut2 s THR 129 Cb -0.12 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.32 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 -2.49 0.11 -0.11 4.42 2.96 -0.26 -0.84 118.68 122.47 1ut2 s LEU 130 Ca 0.00 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1ut2 s LEU 130 Cb 0.03 0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 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 -0.16 0.46 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.37 1ut2 s LEU 132 N -0.10 1.70 -0.07 4.42 1.43 -0.08 -2.31 118.68 123.66 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 -0.60 -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 0.38 3.11 0.63 5.49 2.01 0.78 0.10 115.64 128.13 1ut2 s THR 133 Ca -0.07 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 1ut2 s THR 133 Cb -0.11 -2.25 -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 -0.43 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 3.44 0.20 0.00 -0.90 -1.90 105.19 102.61 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 -2.27 2.20 0.25 1.61 1.13 -0.66 0.02 117.35 119.64 1ut2 s TYR 136 Ca 0.00 -0.37 0.08 0.00 -1.41 0.00 0.00 57.07 55.37 1ut2 s TYR 136 Cb 0.00 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.83 1ut2 s TYR 136 CO 0.00 0.62 0.08 -0.46 -2.51 0.00 0.00 175.55 173.29 1ut2 s TRP 137 N -2.39 2.90 0.00 -3.49 -0.11 0.30 -0.70 118.94 115.45 1ut2 s TRP 137 Ca 0.27 -0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.43 1ut2 s TRP 137 Cb -0.05 -1.30 0.00 0.00 -1.50 0.00 0.00 33.47 30.61 1ut2 s TRP 137 CO 0.13 0.57 0.00 0.00 -4.62 0.00 0.00 176.95 173.03