#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 -0.41 0.03 1.61 1.04 0.11 -4.94 113.70 111.14 1ut1 s SER 1 Ca 0.00 -0.15 -0.23 0.00 0.48 0.00 0.00 55.95 56.05 1ut1 s SER 1 Cb 0.00 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 1ut1 s SER 1 CO 0.00 -0.92 0.69 0.12 0.98 0.00 0.00 173.24 174.11 1ut1 s PHE 2 N -3.78 3.72 -0.28 5.02 2.19 -1.26 -1.74 117.98 121.86 1ut1 s PHE 2 Ca 0.02 1.36 -0.02 0.00 0.33 0.00 0.00 56.93 58.62 1ut1 s PHE 2 Cb 0.00 -2.72 0.04 0.00 -1.31 0.00 0.00 43.02 39.03 1ut1 s PHE 2 CO -0.12 0.33 -0.02 0.99 1.83 0.00 0.00 175.22 178.22 1ut1 s THR 3 N -0.19 2.97 0.16 0.12 2.01 -0.25 -4.98 115.64 115.48 1ut1 s THR 3 Ca 0.35 -1.21 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 1ut1 s THR 3 Cb -0.20 -2.62 -0.11 0.00 0.01 0.00 0.00 72.50 69.59 1ut1 s THR 3 CO 0.20 0.03 1.70 -2.84 -0.69 0.00 0.00 174.62 173.03 1ut1 s PRO 4 N 1.29 4.16 -0.41 4.92 0.02 -1.26 -1.73 135.00 141.99 1ut1 s PRO 4 Ca -0.03 2.51 -0.00 0.00 0.02 0.00 0.00 61.00 63.50 1ut1 s PRO 4 Cb -0.18 -3.29 0.20 0.00 0.02 0.00 0.00 34.50 31.24 1ut1 s PRO 4 CO -0.02 -0.74 0.90 0.45 -0.33 0.00 0.00 177.00 177.26 1ut1 s SER 5 N 1.71 -0.87 0.00 2.53 0.15 -0.53 -4.92 113.70 111.76 1ut1 s SER 5 Ca 0.75 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1ut1 s SER 5 Cb -0.46 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1ut1 s SER 5 CO 0.33 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1ut1 n GLY 6 N 3.11 -1.08 3.95 9.45 0.00 -1.13 -3.59 105.19 115.91 1ut1 n GLY 6 Ca 0.13 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 1ut1 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ut1 s THR 7 N -3.00 2.06 -0.07 2.61 -4.23 -1.26 -4.68 115.64 107.07 1ut1 s THR 7 Ca 0.00 -1.27 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1ut1 s THR 7 Cb 0.00 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1ut1 s THR 7 CO 0.00 0.00 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.96 1ut1 s THR 8 N -2.66 1.95 -0.09 3.99 2.01 -1.26 -1.02 115.64 118.55 1ut1 s THR 8 Ca 0.47 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1ut1 s THR 8 Cb -0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1ut1 s THR 8 CO 0.29 0.54 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.79 1ut1 s GLY 9 N 0.05 1.52 -0.19 4.40 0.00 -0.15 -4.96 107.32 107.99 1ut1 s GLY 9 Ca -0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1ut1 s GLY 9 CO 0.05 -0.45 -0.08 -1.59 0.00 0.00 0.00 173.10 171.03 1ut1 s THR 10 N -0.12 3.21 -0.24 0.90 2.01 -1.26 -1.00 115.64 119.14 1ut1 s THR 10 Ca -0.02 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1ut1 s THR 10 Cb -0.14 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1ut1 s THR 10 CO 0.04 0.47 0.23 -0.89 -0.69 0.00 0.00 174.62 173.77 1ut1 s THR 11 N 1.08 5.31 0.03 -0.82 2.01 0.41 -4.95 115.64 118.70 1ut1 s THR 11 Ca 0.01 0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1ut1 s THR 11 Cb -0.15 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1ut1 s THR 11 CO -0.01 0.30 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.48 1ut1 s LYS 12 N 1.31 2.07 -0.15 4.92 1.02 -1.26 -1.00 119.74 126.65 1ut1 s LYS 12 Ca 0.10 -0.97 -0.08 0.00 0.02 0.00 0.00 55.97 55.04 1ut1 s LYS 12 Cb -0.14 -2.18 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 1ut1 s LYS 12 CO 0.07 0.54 0.36 -1.17 -0.92 0.00 0.00 175.35 174.23 1ut1 s LEU 13 N -1.34 -0.03 -0.19 3.17 2.96 -0.26 -4.83 118.68 118.15 1ut1 s LEU 13 Ca 0.14 0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 54.71 1ut1 s LEU 13 Cb -0.10 1.14 -0.05 0.00 0.50 0.00 0.00 46.19 47.68 1ut1 s LEU 13 CO 0.04 -0.19 0.25 -0.89 -1.32 0.00 0.00 176.35 174.24 1ut1 s THR 14 N 1.55 5.32 -0.17 3.68 2.01 -0.84 -0.17 115.64 127.02 1ut1 s THR 14 Ca -0.08 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.28 1ut1 s THR 14 Cb -0.10 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1ut1 s THR 14 CO -0.11 0.37 0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 1ut1 s VAL 15 N 0.72 4.79 0.38 3.82 1.01 0.60 -0.89 120.40 130.83 1ut1 s VAL 15 Ca 0.13 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1ut1 s VAL 15 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ut1 s VAL 15 CO 0.03 0.49 0.08 0.42 0.00 0.00 0.00 175.10 176.12 1ut1 s THR 16 N 0.15 0.95 0.67 3.92 -4.23 -0.05 -1.42 115.64 115.62 1ut1 s THR 16 Ca 0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1ut1 s THR 16 Cb -0.12 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.32 1ut1 s THR 16 CO 0.01 0.00 0.92 -0.62 -0.54 0.00 0.00 174.62 174.39 1ut1 n GLU 17 N -0.85 -0.50 -0.11 3.99 -0.58 -1.26 -0.71 120.64 120.63 1ut1 n GLU 17 Ca -0.06 -1.88 -0.07 0.00 -0.42 0.00 0.00 57.16 54.74 1ut1 n GLU 17 Cb 0.66 -0.80 0.01 0.00 -0.57 0.00 0.00 31.44 30.74 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 0.35 -6.57 3.49 3.11 -1.98 -3.35 116.57 111.62 1ut1 h LYS 18 Ca -0.30 -0.02 -0.57 0.00 -2.81 0.00 0.00 60.65 56.95 1ut1 h LYS 18 Cb 0.95 -0.08 -0.07 0.00 -1.00 0.00 0.00 32.23 32.03 1ut1 h LYS 18 CO 0.26 0.23 0.87 0.00 -2.81 0.00 0.00 179.45 178.00 1ut1 s GLN 20 N 4.23 2.48 -0.33 0.00 0.74 -1.26 -5.07 119.66 120.46 1ut1 s GLN 20 Ca 0.46 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 1ut1 s GLN 20 Cb -0.08 -2.04 0.07 0.00 1.10 0.00 0.00 33.01 32.06 1ut1 s GLN 20 CO 0.28 -0.02 0.05 0.08 -0.55 0.00 0.00 175.29 175.14 1ut1 s VAL 21 N 0.86 2.93 -0.13 1.34 1.01 -1.26 -5.08 120.40 120.07 1ut1 s VAL 21 Ca -0.08 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 1ut1 s VAL 21 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1ut1 s VAL 21 CO -0.00 -0.32 0.97 -0.13 0.00 0.00 0.00 175.10 175.62 1ut1 s ARG 22 N 1.17 4.38 -0.12 2.72 1.81 -1.26 -5.03 118.95 122.61 1ut1 s ARG 22 Ca 0.00 1.31 0.02 0.00 -1.72 0.00 0.00 55.73 55.34 1ut1 s ARG 22 Cb -0.20 -3.56 0.01 0.00 -0.45 0.00 0.00 34.95 30.75 1ut1 s ARG 22 CO -0.03 -0.35 -0.17 0.08 -0.68 0.00 0.00 175.30 174.16 1ut1 s VAL 23 N 2.15 1.66 0.00 3.52 1.01 -1.26 -5.06 120.40 122.41 1ut1 s VAL 23 Ca 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ut1 s VAL 23 Cb -0.18 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ut1 s VAL 23 CO 0.16 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1ut1 n GLY 24 N 4.26 -0.60 3.71 4.51 0.00 -1.26 -4.90 105.19 110.91 1ut1 n GLY 24 Ca -0.19 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 0.78 2.07 -4.74 1.61 9.92 -1.26 -4.91 116.55 120.03 1ut1 n ASP 25 Ca 0.00 0.91 -0.42 0.00 -0.53 0.00 0.00 54.79 54.75 1ut1 n ASP 25 Cb 0.00 -1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 38.94 1ut1 n ASP 25 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ut1 n LEU 26 N -1.06 4.19 -3.81 0.64 4.77 -1.26 -5.01 117.00 115.46 1ut1 n LEU 26 Ca 0.12 1.15 -0.12 0.00 -0.03 0.00 0.00 56.01 57.13 1ut1 n LEU 26 Cb 0.46 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.88 1ut1 n LEU 26 CO 0.51 0.05 -0.08 0.42 -1.33 0.00 0.00 177.39 176.96 1ut1 s THR 27 N -0.11 0.06 0.00 -5.08 -4.23 -1.26 -5.12 115.64 99.90 1ut1 s THR 27 Ca 0.64 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 60.35 1ut1 s THR 27 Cb -0.52 -0.49 -0.06 0.00 1.34 0.00 0.00 72.50 72.77 1ut1 s THR 27 CO 0.50 -0.27 1.49 -0.69 -0.54 0.00 0.00 174.62 175.11 1ut1 s VAL 28 N -1.13 3.56 0.04 2.29 1.01 -1.26 -4.98 120.40 119.92 1ut1 s VAL 28 Ca -0.12 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1ut1 s VAL 28 Cb -0.06 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1ut1 s VAL 28 CO 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.04 1ut1 s ALA 29 N 2.74 0.49 0.04 5.51 0.00 -1.26 -1.98 121.76 127.29 1ut1 s ALA 29 Ca 0.67 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1ut1 s ALA 29 Cb -0.33 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1ut1 s ALA 29 CO 0.28 -0.04 -0.08 0.15 0.00 0.00 0.00 175.76 176.07 1ut1 s LYS 30 N -1.48 0.54 0.60 0.00 1.02 -0.07 -4.94 119.74 115.41 1ut1 s LYS 30 Ca -0.10 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.07 1ut1 s LYS 30 Cb -0.10 -0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 36.82 1ut1 s LYS 30 CO 0.00 0.07 1.03 0.95 -0.92 0.00 0.00 175.35 176.48 1ut1 s THR 31 N -1.19 4.47 0.46 2.17 -4.23 -1.26 -0.87 115.64 115.19 1ut1 s THR 31 Ca -0.08 0.93 0.18 0.00 -1.18 0.00 0.00 61.69 61.54 1ut1 s THR 31 Cb -0.09 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.27 1ut1 s THR 31 CO 0.00 -0.93 2.04 0.08 -0.54 0.00 0.00 174.62 175.28 1ut1 h ARG 32 N -0.01 0.00 0.00 3.99 0.11 -1.22 -1.44 114.38 115.81 1ut1 h ARG 32 Ca -0.45 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 1ut1 h ARG 32 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 1ut1 h ARG 32 CO 0.61 0.14 -0.00 0.78 0.10 0.00 0.00 179.97 181.59 1ut1 h GLY 33 N 0.51 0.00 0.99 0.08 0.00 -1.85 -0.57 103.07 102.24 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 -0.11 -1.06 0.00 0.00 0.00 176.54 175.39 1ut1 n GLN 34 N -3.12 0.62 -1.52 4.80 6.02 -0.54 -4.40 117.38 119.24 1ut1 n GLN 34 Ca -0.03 -0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.48 1ut1 n GLN 34 Cb 0.10 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 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 -1.01 6.91 -4.93 1.08 4.77 -0.22 -4.80 117.00 118.79 1ut1 n LEU 35 Ca 0.14 -4.16 -0.25 0.00 -0.03 0.00 0.00 56.01 51.71 1ut1 n LEU 35 Cb 0.28 -1.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.08 1ut1 n LEU 35 CO 0.24 1.85 0.52 0.42 -1.33 0.00 0.00 177.39 179.09 1ut1 s THR 36 N -0.92 3.07 0.21 -5.08 -4.23 -1.26 -0.90 115.64 106.53 1ut1 s THR 36 Ca 0.60 -0.22 -0.32 0.00 -1.18 0.00 0.00 61.69 60.57 1ut1 s THR 36 Cb 0.30 -3.24 -0.13 0.00 1.34 0.00 0.00 72.50 70.77 1ut1 s THR 36 CO -0.13 -0.23 1.49 -0.67 -0.54 0.00 0.00 174.62 174.54 1ut1 n ASP 37 N -2.63 2.97 0.00 3.99 4.64 -1.26 -1.55 116.55 122.71 1ut1 n ASP 37 Ca 0.06 1.12 0.00 0.00 -1.38 0.00 0.00 54.79 54.59 1ut1 n ASP 37 Cb 0.59 -1.44 0.00 0.00 -1.04 0.00 0.00 41.12 39.23 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 2.52 0.00 -1.75 -1.67 0.00 0.50 -4.96 120.51 115.16 1ut1 n ALA 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1ut1 n ALA 38 Cb 0.31 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 1ut1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut1 s ALA 39 N -2.04 3.81 0.29 0.00 0.00 -0.59 -4.45 121.76 118.78 1ut1 s ALA 39 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1ut1 s ALA 39 Cb 0.00 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 1ut1 s ALA 39 CO 0.00 -0.97 1.20 -1.25 0.00 0.00 0.00 175.76 174.74 1ut1 s PRO 40 N 0.05 4.50 -0.22 0.00 0.04 -1.26 -0.21 135.00 137.90 1ut1 s PRO 40 Ca 0.67 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.61 1ut1 s PRO 40 Cb -0.49 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 30.80 1ut1 s PRO 40 CO 0.43 0.01 -0.27 -0.89 0.04 0.00 0.00 177.00 176.32 1ut1 n ILE 41 N 1.24 1.24 0.00 0.56 5.41 0.74 -4.90 119.36 123.65 1ut1 n ILE 41 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1ut1 n ILE 41 Cb 0.43 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 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 1.80 1.04 3.93 7.39 0.00 -1.12 -5.01 105.19 113.22 1ut1 n GLY 42 Ca -0.43 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 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 3.52 -0.09 1.61 0.04 -1.26 -0.81 135.00 136.01 1ut1 s PRO 43 Ca 0.00 -0.32 -0.01 0.00 0.04 0.00 0.00 61.00 60.71 1ut1 s PRO 43 Cb 0.00 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.83 1ut1 s PRO 43 CO 0.00 0.26 -0.03 0.08 0.04 0.00 0.00 177.00 177.35 1ut1 s VAL 44 N -2.11 0.68 0.24 -0.36 1.01 0.99 -4.97 120.40 115.88 1ut1 s VAL 44 Ca 0.40 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1ut1 s VAL 44 Cb -0.10 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 1ut1 s VAL 44 CO 0.32 0.30 0.87 0.42 0.00 0.00 0.00 175.10 177.01 1ut1 s THR 45 N 1.85 4.26 -0.04 3.92 -4.23 -1.26 -0.54 115.64 119.60 1ut1 s THR 45 Ca 0.05 1.79 0.01 0.00 -1.18 0.00 0.00 61.69 62.36 1ut1 s THR 45 Cb -0.12 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.63 1ut1 s THR 45 CO -0.07 0.35 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.62 1ut1 s VAL 46 N -1.36 0.57 -0.15 2.29 1.01 -0.29 -4.94 120.40 117.54 1ut1 s VAL 46 Ca 0.43 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1ut1 s VAL 46 Cb -0.22 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.63 1ut1 s VAL 46 CO 0.26 0.23 0.06 -1.58 0.00 0.00 0.00 175.10 174.08 1ut1 s GLN 47 N 0.86 0.23 0.09 2.72 2.00 -1.26 -0.77 119.66 123.53 1ut1 s GLN 47 Ca -0.12 -0.08 -0.08 0.00 -2.00 0.00 0.00 55.36 53.08 1ut1 s GLN 47 Cb -0.14 -1.62 -0.06 0.00 0.80 0.00 0.00 33.01 31.98 1ut1 s GLN 47 CO 0.01 -0.58 0.39 0.00 -0.50 0.00 0.00 175.29 174.60 1ut1 s ALA 48 N 2.06 3.75 -0.01 1.58 0.00 -0.02 -5.02 121.76 124.09 1ut1 s ALA 48 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1ut1 s ALA 48 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1ut1 s ALA 48 CO -0.08 0.60 0.09 -0.48 0.00 0.00 0.00 175.76 175.89 1ut1 s LEU 49 N -2.10 1.72 0.00 0.00 0.05 -1.26 -4.37 118.68 112.72 1ut1 s LEU 49 Ca 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.46 1ut1 s LEU 49 Cb -0.13 0.41 0.00 0.00 -2.05 0.00 0.00 46.19 44.41 1ut1 s LEU 49 CO 0.19 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.41 1ut1 n GLY 50 N 2.24 0.48 1.31 -3.48 0.00 -1.26 -4.93 105.19 99.55 1ut1 n GLY 50 Ca -0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.77 0.00 -0.06 0.00 5.19 -1.92 -1.56 116.42 119.84 1ut1 h ASP 52 Ca 0.16 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1ut1 h ASP 52 Cb 1.80 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.30 1ut1 h ASP 52 CO 0.44 0.00 -0.02 0.00 -3.12 0.00 0.00 179.24 176.54 1ut1 n ALA 53 N -2.42 2.51 -2.49 3.45 0.00 -1.26 -3.50 120.51 116.80 1ut1 n ALA 53 Ca 0.05 -2.59 -0.17 0.00 0.00 0.00 0.00 53.44 50.73 1ut1 n ALA 53 Cb 0.49 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.89 0.97 -0.24 0.00 1.81 -0.63 -4.93 118.95 113.05 1ut1 s ARG 54 Ca 0.35 -1.22 -0.22 0.00 -1.72 0.00 0.00 55.73 52.92 1ut1 s ARG 54 Cb 0.30 -0.80 -0.02 0.00 -0.45 0.00 0.00 34.95 33.98 1ut1 s ARG 54 CO 0.04 0.15 0.69 -0.65 -0.68 0.00 0.00 175.30 174.85 1ut1 s GLN 55 N -2.70 4.15 0.43 3.54 -0.21 -1.25 -1.81 119.66 121.82 1ut1 s GLN 55 Ca 0.08 0.69 -0.25 0.00 0.02 0.00 0.00 55.36 55.89 1ut1 s GLN 55 Cb -0.04 -3.63 -0.08 0.00 1.00 0.00 0.00 33.01 30.25 1ut1 s GLN 55 CO 0.02 -0.41 1.35 0.08 -2.12 0.00 0.00 175.29 174.21 1ut1 s VAL 56 N 2.49 2.39 0.04 1.09 1.01 -1.26 -0.27 120.40 125.89 1ut1 s VAL 56 Ca 0.29 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 1ut1 s VAL 56 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ut1 s VAL 56 CO 0.09 0.05 0.16 0.00 0.00 0.00 0.00 175.10 175.39 1ut1 s ALA 57 N -1.25 -0.24 -0.05 5.51 0.00 -0.09 -0.57 121.76 125.07 1ut1 s ALA 57 Ca 0.59 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1ut1 s ALA 57 Cb -0.40 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ut1 s ALA 57 CO 0.51 -0.35 -0.19 -0.51 0.00 0.00 0.00 175.76 175.22 1ut1 s LEU 58 N -2.15 1.95 -0.14 0.00 1.43 0.16 -1.03 118.68 118.91 1ut1 s LEU 58 Ca -0.04 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1ut1 s LEU 58 Cb -0.01 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1ut1 s LEU 58 CO -0.05 0.17 -0.15 -0.75 0.23 0.00 0.00 176.35 175.80 1ut1 s LYS 59 N 0.04 3.28 0.52 1.70 2.20 0.48 -0.35 119.74 127.62 1ut1 s LYS 59 Ca -0.05 -0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 54.66 1ut1 s LYS 59 Cb -0.13 -2.59 -0.08 0.00 -1.51 0.00 0.00 37.83 33.52 1ut1 s LYS 59 CO 0.03 0.13 0.99 0.00 -0.36 0.00 0.00 175.35 176.14 1ut1 s ALA 60 N 0.54 3.07 0.88 3.13 0.00 0.17 -0.62 121.76 128.93 1ut1 s ALA 60 Ca -0.10 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 1ut1 s ALA 60 Cb -0.16 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1ut1 s ALA 60 CO 0.04 -0.26 1.14 -0.51 0.00 0.00 0.00 175.76 176.17 1ut1 s ASP 61 N -3.12 3.31 0.54 0.00 1.11 -0.65 -4.87 116.67 112.99 1ut1 s ASP 61 Ca 0.59 2.12 0.20 0.00 0.18 0.00 0.00 52.55 55.63 1ut1 s ASP 61 Cb -0.10 -2.56 1.42 0.00 1.07 0.00 0.00 42.92 42.75 1ut1 s ASP 61 CO 0.32 -2.84 2.18 0.00 1.18 0.00 0.00 175.17 176.01 1ut1 h THR 62 N -1.65 0.88 -0.32 -1.27 1.03 -1.94 -0.56 112.91 109.08 1ut1 h THR 62 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1ut1 h THR 62 Cb 1.26 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1ut1 h THR 62 CO 0.44 0.00 0.00 -0.90 -0.01 0.00 0.00 175.52 175.05 1ut1 n ASP 63 N -4.36 3.57 -0.01 0.00 3.85 -1.26 -4.00 116.55 114.34 1ut1 n ASP 63 Ca -0.03 -2.50 0.01 0.00 -0.71 0.00 0.00 54.79 51.56 1ut1 n ASP 63 Cb 0.09 -0.60 0.01 0.00 -1.35 0.00 0.00 41.12 39.27 1ut1 n ASP 63 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1ut1 n ASN 64 N 0.35 1.53 -3.60 -1.12 3.02 -0.22 -4.52 115.26 110.70 1ut1 n ASN 64 Ca 0.15 -1.83 -0.13 0.00 -0.03 0.00 0.00 54.58 52.74 1ut1 n ASN 64 Cb 0.76 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 1ut1 n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ut1 s PHE 65 N -0.86 -0.36 -0.17 3.10 -0.12 -1.25 -1.22 117.98 117.10 1ut1 s PHE 65 Ca 0.02 0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 57.16 1ut1 s PHE 65 Cb 0.02 0.31 0.08 0.00 -0.63 0.00 0.00 43.02 42.80 1ut1 s PHE 65 CO 0.00 -0.65 0.18 -1.83 -0.05 0.00 0.00 175.22 172.87 1ut1 s GLU 66 N -2.78 0.13 5.25 1.99 -1.05 -0.57 -4.99 118.70 116.69 1ut1 s GLU 66 Ca -0.03 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1ut1 s GLU 66 Cb -0.00 -1.14 0.00 0.00 -0.44 0.00 0.00 34.13 32.55 1ut1 s GLU 66 CO -0.04 -0.59 0.00 1.04 0.95 0.00 0.00 175.26 176.62 1ut1 n GLN 67 N 5.31 0.00 -0.01 -4.83 6.02 -1.26 -1.32 117.38 121.29 1ut1 n GLN 67 Ca -0.06 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.07 1ut1 n GLN 67 Cb 0.49 0.00 0.54 0.00 1.02 0.00 0.00 30.24 32.30 1ut1 n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ut1 n GLY 68 N 0.00 -0.05 3.64 1.08 0.00 -1.26 -3.21 105.19 105.39 1ut1 n GLY 68 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.98 2.80 0.15 1.61 1.02 -0.44 -4.98 119.74 117.92 1ut1 s LYS 69 Ca 0.38 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.89 1ut1 s LYS 69 Cb 0.21 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1ut1 s LYS 69 CO 0.33 0.66 0.06 -0.06 -0.92 0.00 0.00 175.35 175.42 1ut1 s PHE 70 N -0.92 3.01 -0.04 3.18 0.40 -1.26 -1.51 117.98 120.84 1ut1 s PHE 70 Ca 0.15 -0.06 -0.26 0.00 -0.60 0.00 0.00 56.93 56.17 1ut1 s PHE 70 Cb -0.11 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1ut1 s PHE 70 CO 0.05 0.51 0.56 -0.59 0.70 0.00 0.00 175.22 176.45 1ut1 s PHE 71 N -1.64 -0.50 0.47 0.36 -0.12 -0.36 -1.03 117.98 115.17 1ut1 s PHE 71 Ca 0.29 0.83 -0.20 0.00 -0.05 0.00 0.00 56.93 57.80 1ut1 s PHE 71 Cb -0.10 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 1ut1 s PHE 71 CO 0.21 -0.54 1.01 -0.51 -0.05 0.00 0.00 175.22 175.33 1ut1 s LEU 72 N -1.26 3.84 -0.04 -1.99 1.02 -0.00 -4.45 118.68 115.80 1ut1 s LEU 72 Ca -0.12 1.82 0.06 0.00 0.02 0.00 0.00 54.13 55.92 1ut1 s LEU 72 Cb -0.02 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 1ut1 s LEU 72 CO 0.08 -0.65 -0.23 -0.51 0.02 0.00 0.00 176.35 175.06 1ut1 s ILE 73 N -2.12 2.33 0.82 -0.59 1.10 -0.17 -1.16 121.20 121.42 1ut1 s ILE 73 Ca 0.65 -1.00 -0.11 0.00 -0.51 0.00 0.00 60.65 59.68 1ut1 s ILE 73 Cb -0.13 -1.85 0.09 0.00 0.15 0.00 0.00 42.46 40.72 1ut1 s ILE 73 CO 0.19 0.58 1.12 -0.55 -2.11 0.00 0.00 174.94 174.18 1ut1 s SER 74 N -0.55 3.84 0.38 4.50 0.15 0.53 -1.34 113.70 121.21 1ut1 s SER 74 Ca 0.08 2.02 0.28 0.00 0.70 0.00 0.00 55.95 59.03 1ut1 s SER 74 Cb -0.11 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 62.95 1ut1 s SER 74 CO 0.00 -2.48 1.83 0.44 1.20 0.00 0.00 173.24 174.23 1ut1 h ASP 75 N -1.33 0.00 -0.01 5.45 3.32 -1.26 0.79 116.42 123.39 1ut1 h ASP 75 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1ut1 h ASP 75 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ut1 h ASP 75 CO 0.47 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.53 1ut1 n ASN 76 N -2.51 0.14 0.00 6.45 2.04 -1.26 -4.90 115.26 115.22 1ut1 n ASN 76 Ca 0.00 -1.27 0.00 0.00 -0.44 0.00 0.00 54.58 52.87 1ut1 n ASN 76 Cb 0.17 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 1ut1 n ASN 76 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ut1 n ASN 77 N -0.78 -0.12 -0.02 0.53 5.03 0.27 -4.78 115.26 115.39 1ut1 n ASN 77 Ca 0.18 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.58 1ut1 n ASN 77 Cb 0.11 -1.42 -0.02 0.00 -1.02 0.00 0.00 39.78 37.43 1ut1 n ASN 77 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ut1 n ARG 78 N -1.97 0.22 -2.09 3.52 1.74 -1.26 -4.89 116.66 111.94 1ut1 n ARG 78 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 1ut1 n ARG 78 Cb 0.01 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 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 -5.98 6.74 0.06 0.55 1.01 -1.26 -4.86 116.67 112.94 1ut1 s ASP 79 Ca -0.13 2.60 0.08 0.00 0.71 0.00 0.00 52.55 55.82 1ut1 s ASP 79 Cb 0.02 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ut1 s ASP 79 CO 0.18 -0.62 -0.20 -0.54 0.21 0.00 0.00 175.17 174.20 1ut1 s LYS 80 N -0.59 1.91 -0.33 8.23 1.02 -1.26 -0.34 119.74 128.38 1ut1 s LYS 80 Ca 0.57 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1ut1 s LYS 80 Cb -0.40 -2.11 0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1ut1 s LYS 80 CO 0.44 0.52 0.10 -1.17 -0.92 0.00 0.00 175.35 174.31 1ut1 s LEU 81 N -1.58 3.01 0.32 3.17 2.96 -0.31 -4.98 118.68 121.28 1ut1 s LEU 81 Ca 0.15 -1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 51.90 1ut1 s LEU 81 Cb -0.10 -1.10 -0.10 0.00 0.50 0.00 0.00 46.19 45.38 1ut1 s LEU 81 CO 0.06 -0.39 1.32 -0.31 -1.32 0.00 0.00 176.35 175.70 1ut1 s TYR 82 N 1.30 3.04 0.05 5.38 1.51 -1.26 -0.82 117.35 126.55 1ut1 s TYR 82 Ca 0.11 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 1ut1 s TYR 82 Cb -0.18 -3.70 -0.03 0.00 -0.11 0.00 0.00 41.96 37.94 1ut1 s TYR 82 CO -0.18 -1.93 -0.04 0.14 -1.11 0.00 0.00 175.55 172.42 1ut1 s VAL 83 N -1.05 0.34 0.04 0.71 -7.23 -0.19 -0.90 120.40 112.12 1ut1 s VAL 83 Ca 0.50 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1ut1 s VAL 83 Cb -0.40 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1ut1 s VAL 83 CO 0.52 -0.79 0.14 0.20 -0.31 0.00 0.00 175.10 174.86 1ut1 s ASN 84 N -2.48 5.95 -0.13 4.85 0.01 0.25 -4.10 114.94 119.29 1ut1 s ASN 84 Ca 0.01 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 1ut1 s ASN 84 Cb 0.01 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.94 1ut1 s ASN 84 CO -0.06 0.21 -0.21 0.27 -1.51 0.00 0.00 177.10 175.80 1ut1 s ILE 85 N -1.38 2.17 -0.06 0.60 -4.36 -1.26 -1.36 121.20 115.55 1ut1 s ILE 85 Ca 0.29 -0.95 -0.03 0.00 -0.26 0.00 0.00 60.65 59.70 1ut1 s ILE 85 Cb -0.12 -1.86 0.04 0.00 1.25 0.00 0.00 42.46 41.76 1ut1 s ILE 85 CO 0.22 0.55 0.14 -0.60 0.24 0.00 0.00 174.94 175.48 1ut1 s ARG 86 N 0.66 0.09 0.51 0.37 3.52 -0.51 -4.97 118.95 118.62 1ut1 s ARG 86 Ca -0.10 0.34 -0.21 0.00 -0.13 0.00 0.00 55.73 55.63 1ut1 s ARG 86 Cb -0.16 -0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.01 1ut1 s ARG 86 CO 0.02 -0.15 1.12 -1.25 -0.81 0.00 0.00 175.30 174.23 1ut1 s PRO 87 N 1.03 3.56 0.10 5.12 0.04 -1.26 -0.59 135.00 143.00 1ut1 s PRO 87 Ca -0.08 1.61 0.27 0.00 0.04 0.00 0.00 61.00 62.84 1ut1 s PRO 87 Cb -0.10 -2.14 1.00 0.00 0.04 0.00 0.00 34.50 33.29 1ut1 s PRO 87 CO -0.05 -0.68 1.82 0.25 0.04 0.00 0.00 177.00 178.39 1ut1 n THR 88 N -0.99 0.27 0.65 1.26 -2.24 -0.16 -3.12 114.28 109.94 1ut1 n THR 88 Ca 0.10 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1ut1 n THR 88 Cb 0.50 -0.50 0.27 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.85 2.72 -2.44 3.42 3.85 -1.26 -4.94 116.55 116.05 1ut1 n ASP 89 Ca 0.06 -1.90 -0.17 0.00 -0.71 0.00 0.00 54.79 52.08 1ut1 n ASP 89 Cb 0.38 -0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 39.93 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 1.01 -4.90 -4.75 -1.12 4.13 -1.18 -4.97 115.26 103.48 1ut1 n ASN 90 Ca 0.18 0.08 -0.30 0.00 1.68 0.00 0.00 54.58 56.22 1ut1 n ASN 90 Cb 0.48 -4.11 0.12 0.00 -1.54 0.00 0.00 39.78 34.74 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 -2.06 3.75 -0.18 6.41 1.04 -1.26 -5.01 113.70 116.39 1ut1 s SER 91 Ca 0.01 1.39 -0.18 0.00 0.48 0.00 0.00 55.95 57.64 1ut1 s SER 91 Cb -0.00 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1ut1 s SER 91 CO 0.01 -2.45 0.50 0.00 0.98 0.00 0.00 173.24 172.29 1ut1 s ALA 92 N -3.02 3.53 0.22 5.32 0.00 -1.26 -4.86 121.76 121.69 1ut1 s ALA 92 Ca 0.63 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.27 1ut1 s ALA 92 Cb -0.17 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1ut1 s ALA 92 CO 0.56 -0.34 -0.05 -1.58 0.00 0.00 0.00 175.76 174.35 1ut1 s TRP 93 N 1.41 1.60 0.01 0.00 0.52 -1.26 -0.80 118.94 120.41 1ut1 s TRP 93 Ca 0.24 -0.81 0.04 0.00 0.02 0.00 0.00 56.10 55.59 1ut1 s TRP 93 Cb -0.15 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.27 1ut1 s TRP 93 CO 0.10 0.08 -0.13 0.99 0.02 0.00 0.00 176.95 178.01 1ut1 s THR 94 N -3.28 1.00 -0.15 2.01 2.01 0.10 -4.84 115.64 112.49 1ut1 s THR 94 Ca 0.26 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1ut1 s THR 94 Cb 0.04 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1ut1 s THR 94 CO 0.08 0.16 0.02 -0.89 -0.69 0.00 0.00 174.62 173.29 1ut1 s THR 95 N -0.52 4.41 -0.32 -0.82 2.01 -1.26 -0.66 115.64 118.48 1ut1 s THR 95 Ca 0.03 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1ut1 s THR 95 Cb -0.06 -2.93 0.14 0.00 0.01 0.00 0.00 72.50 69.65 1ut1 s THR 95 CO 0.00 0.51 0.29 -0.62 -0.69 0.00 0.00 174.62 174.11 1ut1 s ASP 96 N 0.01 1.95 -1.03 3.53 3.68 0.19 -5.00 116.67 120.01 1ut1 s ASP 96 Ca 0.04 -1.29 -0.16 0.00 2.13 0.00 0.00 52.55 53.26 1ut1 s ASP 96 Cb -0.13 0.28 0.00 0.00 -1.45 0.00 0.00 42.92 41.62 1ut1 s ASP 96 CO 0.02 -0.34 0.73 0.59 0.13 0.00 0.00 175.17 176.30 1ut1 n ASN 97 N 4.78 -5.42 0.00 -0.34 4.13 -1.20 -1.99 115.26 115.22 1ut1 n ASN 97 Ca 0.04 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.37 1ut1 n ASN 97 Cb 0.44 -3.07 0.00 0.00 -1.54 0.00 0.00 39.78 35.61 1ut1 n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ut1 n GLY 98 N -1.74 2.29 3.63 7.41 0.00 -1.20 -4.96 105.19 110.63 1ut1 n GLY 98 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.32 4.69 -0.35 1.61 1.01 -0.84 -0.66 120.40 123.53 1ut1 s VAL 99 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1ut1 s VAL 99 Cb 0.00 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.35 1ut1 s VAL 99 CO 0.00 0.48 0.11 0.12 0.00 0.00 0.00 175.10 175.81 1ut1 s PHE 100 N 0.25 3.39 0.14 5.22 5.36 0.53 -0.63 117.98 132.24 1ut1 s PHE 100 Ca 0.03 -1.98 0.10 0.00 -0.96 0.00 0.00 56.93 54.12 1ut1 s PHE 100 Cb -0.12 -2.61 -0.04 0.00 -0.34 0.00 0.00 43.02 39.91 1ut1 s PHE 100 CO 0.01 -0.86 -0.24 1.52 -1.46 0.00 0.00 175.22 174.19 1ut1 s TYR 101 N 1.24 2.12 0.17 10.12 1.13 0.17 -0.67 117.35 131.63 1ut1 s TYR 101 Ca 0.01 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 1ut1 s TYR 101 Cb -0.21 -1.12 -0.07 0.00 -1.10 0.00 0.00 41.96 39.45 1ut1 s TYR 101 CO -0.01 0.33 0.98 0.21 -2.51 0.00 0.00 175.55 174.54 1ut1 s LYS 102 N -2.18 4.74 0.45 -3.49 2.20 0.27 0.03 119.74 121.75 1ut1 s LYS 102 Ca 0.13 1.51 0.21 0.00 -0.36 0.00 0.00 55.97 57.46 1ut1 s LYS 102 Cb -0.09 -3.32 1.06 0.00 -1.51 0.00 0.00 37.83 33.96 1ut1 s LYS 102 CO 0.06 0.30 1.93 -0.91 -0.36 0.00 0.00 175.35 176.38 1ut1 h ASN 103 N 4.96 0.00 -3.41 1.43 -0.26 -1.29 -3.43 115.58 113.58 1ut1 h ASN 103 Ca -0.44 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 54.65 1ut1 h ASN 103 Cb 1.21 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.34 1ut1 h ASN 103 CO 0.70 0.24 -0.69 -0.62 -1.06 0.00 0.00 177.43 176.01 1ut1 s ASP 104 N -6.48 4.83 0.87 5.81 3.68 -1.26 -5.05 116.67 119.08 1ut1 s ASP 104 Ca -0.02 -0.24 -0.11 0.00 2.13 0.00 0.00 52.55 54.30 1ut1 s ASP 104 Cb 0.13 -1.09 0.12 0.00 -1.45 0.00 0.00 42.92 40.63 1ut1 s ASP 104 CO 0.65 0.18 1.09 0.68 0.13 0.00 0.00 175.17 177.90 1ut1 s VAL 105 N -1.28 2.75 0.00 1.11 -7.23 -1.26 -4.45 120.40 110.04 1ut1 s VAL 105 Ca 0.24 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1ut1 s VAL 105 Cb -0.11 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1ut1 s VAL 105 CO 0.17 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1ut1 n GLY 106 N -1.28 4.18 3.52 2.32 0.00 -0.75 -4.93 105.19 108.24 1ut1 n GLY 106 Ca 0.07 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1ut1 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ut1 s SER 107 N 0.00 6.96 0.29 1.61 0.01 -1.23 -4.46 113.70 116.89 1ut1 s SER 107 Ca 0.00 -2.74 -0.29 0.00 1.31 0.00 0.00 55.95 54.23 1ut1 s SER 107 Cb 0.00 -2.49 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 1ut1 s SER 107 CO 0.00 -0.95 1.11 0.86 0.41 0.00 0.00 173.24 174.67 1ut1 s TRP 108 N 2.85 3.52 -0.12 2.43 -0.00 -1.26 -4.66 118.94 121.70 1ut1 s TRP 108 Ca 0.48 1.68 0.03 0.00 -0.00 0.00 0.00 56.10 58.28 1ut1 s TRP 108 Cb 0.00 -3.30 -0.00 0.00 -0.00 0.00 0.00 33.47 30.17 1ut1 s TRP 108 CO 0.04 -0.65 -0.21 0.20 -0.00 0.00 0.00 176.95 176.33 1ut1 s GLY 109 N -0.89 1.39 0.05 5.86 0.00 -1.26 -0.84 107.32 111.62 1ut1 s GLY 109 Ca 0.46 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 1ut1 s GLY 109 CO 0.41 -0.20 0.30 0.61 0.00 0.00 0.00 173.10 174.23 1ut1 n GLY 110 N 3.71 1.09 3.02 0.20 0.00 0.05 -5.02 105.19 108.24 1ut1 n GLY 110 Ca -0.19 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.42 1.17 -0.21 -0.61 1.01 -1.26 -1.14 121.20 117.75 1ut1 s ILE 111 Ca 0.07 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1ut1 s ILE 111 Cb -0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1ut1 s ILE 111 CO 0.02 0.37 0.08 -0.63 0.00 0.00 0.00 174.94 174.77 1ut1 s ILE 112 N 0.77 4.79 -0.05 2.92 -1.09 0.30 -0.99 121.20 127.84 1ut1 s ILE 112 Ca -0.13 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.17 1ut1 s ILE 112 Cb -0.16 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1ut1 s ILE 112 CO 0.02 0.42 0.26 -0.83 -1.23 0.00 0.00 174.94 173.58 1ut1 s GLY 113 N 0.73 2.29 -0.20 6.18 0.00 0.24 -0.01 107.32 116.56 1ut1 s GLY 113 Ca 0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.25 1ut1 s GLY 113 CO 0.02 -0.20 -0.06 -0.42 0.00 0.00 0.00 173.10 172.44 1ut1 s ILE 114 N -1.11 3.39 0.07 0.90 -1.09 0.01 -1.42 121.20 121.96 1ut1 s ILE 114 Ca 0.21 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1ut1 s ILE 114 Cb -0.14 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1ut1 s ILE 114 CO 0.10 0.45 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.79 1ut1 s TYR 115 N 1.13 1.33 0.21 3.97 2.02 -0.47 -0.18 117.35 125.36 1ut1 s TYR 115 Ca 0.02 -0.43 -0.32 0.00 -0.37 0.00 0.00 57.07 55.96 1ut1 s TYR 115 Cb -0.15 -0.75 -0.12 0.00 -0.40 0.00 0.00 41.96 40.54 1ut1 s TYR 115 CO -0.01 0.08 1.69 0.28 -1.57 0.00 0.00 175.55 176.02 1ut1 n VAL 116 N 1.37 0.14 -3.45 0.71 0.31 0.71 -0.58 118.33 117.53 1ut1 n VAL 116 Ca -0.20 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 1ut1 n VAL 116 Cb 0.54 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 1ut1 n VAL 116 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ut1 s ASP 117 N 1.04 6.06 0.00 4.52 2.15 -0.08 -0.37 116.67 129.99 1ut1 s ASP 117 Ca 0.74 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 51.49 1ut1 s ASP 117 Cb -0.53 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ut1 s ASP 117 CO 0.35 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1ut1 n GLY 118 N 4.53 -0.71 3.70 2.66 0.00 -1.26 -4.68 105.19 109.43 1ut1 n GLY 118 Ca -0.01 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 1ut1 n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ut1 n GLN 119 N 0.31 2.59 -2.72 1.61 7.27 -1.26 -4.39 117.38 120.79 1ut1 n GLN 119 Ca 0.00 0.94 -0.10 0.00 0.07 0.00 0.00 57.00 57.90 1ut1 n GLN 119 Cb 0.00 -2.77 0.02 0.00 2.41 0.00 0.00 30.24 29.91 1ut1 n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ut1 n GLN 120 N 4.05 1.16 -0.00 3.69 6.02 -0.08 -4.91 117.38 127.31 1ut1 n GLN 120 Ca 0.17 -3.29 0.10 0.00 -0.01 0.00 0.00 57.00 53.97 1ut1 n GLN 120 Cb 0.33 -1.31 0.61 0.00 1.02 0.00 0.00 30.24 30.89 1ut1 n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ut1 n THR 121 N -0.03 0.00 -0.13 5.09 -2.24 -1.23 -2.14 114.28 113.60 1ut1 n THR 121 Ca 0.11 -0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1ut1 n THR 121 Cb 0.80 -0.32 0.19 0.00 -2.10 0.00 0.00 70.33 68.90 1ut1 n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ut1 n ASN 122 N -0.81 3.12 -4.65 3.42 3.02 -1.26 -4.18 115.26 113.92 1ut1 n ASN 122 Ca 0.15 -1.96 -0.47 0.00 -0.03 0.00 0.00 54.58 52.28 1ut1 n ASN 122 Cb 0.07 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1ut1 n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ut1 n THR 123 N 0.85 0.36 -2.13 3.41 -1.04 -0.91 -4.91 114.28 109.91 1ut1 n THR 123 Ca 0.15 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.69 1ut1 n THR 123 Cb 0.47 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 0.33 3.62 0.58 -2.82 0.02 -1.26 -4.81 135.00 130.65 1ut1 s PRO 124 Ca 0.76 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 63.49 1ut1 s PRO 124 Cb -0.74 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1ut1 s PRO 124 CO 0.44 -0.70 1.21 -2.30 -0.33 0.00 0.00 177.00 175.33 1ut1 n PRO 125 N -0.58 1.30 0.00 5.54 -0.02 -1.26 -4.86 135.00 135.13 1ut1 n PRO 125 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ut1 n PRO 125 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.97 -0.21 3.46 -1.23 0.00 -0.51 -4.95 105.19 102.73 1ut1 n GLY 126 Ca 0.13 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 5.72 0.08 1.61 0.01 -1.26 -0.29 114.94 120.81 1ut1 s ASN 127 Ca 0.00 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1ut1 s ASN 127 Cb 0.00 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 1ut1 s ASN 127 CO 0.00 -0.22 0.04 -0.31 -1.51 0.00 0.00 177.10 175.10 1ut1 s TYR 128 N 1.64 3.10 -0.01 2.20 2.02 0.75 -0.70 117.35 126.35 1ut1 s TYR 128 Ca 0.05 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 1ut1 s TYR 128 Cb -0.17 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1ut1 s TYR 128 CO 0.08 0.50 0.11 0.95 -1.57 0.00 0.00 175.55 175.62 1ut1 s THR 129 N -1.33 0.06 -0.09 -0.71 -4.23 -0.45 -1.11 115.64 107.78 1ut1 s THR 129 Ca 0.27 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1ut1 s THR 129 Cb -0.12 -0.32 0.02 0.00 1.34 0.00 0.00 72.50 73.42 1ut1 s THR 129 CO 0.19 -0.27 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.68 1ut1 s LEU 130 N -0.91 1.45 -0.18 4.79 2.96 -0.17 -1.00 118.68 125.62 1ut1 s LEU 130 Ca -0.10 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1ut1 s LEU 130 Cb -0.06 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1ut1 s LEU 130 CO 0.01 -0.03 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.95 1ut1 s THR 131 N 1.12 2.42 -0.09 3.68 2.01 -1.26 -0.45 115.64 123.07 1ut1 s THR 131 Ca -0.06 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1ut1 s THR 131 Cb -0.14 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 1ut1 s THR 131 CO -0.02 0.51 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.43 1ut1 s LEU 132 N 1.22 2.08 -0.11 4.42 1.43 -0.17 -1.64 118.68 125.91 1ut1 s LEU 132 Ca 0.03 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1ut1 s LEU 132 Cb -0.14 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1ut1 s LEU 132 CO -0.08 0.17 -0.12 -0.89 0.23 0.00 0.00 176.35 175.66 1ut1 s THR 133 N 0.27 3.16 0.44 5.49 2.01 0.21 -0.98 115.64 126.24 1ut1 s THR 133 Ca -0.16 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 1ut1 s THR 133 Cb -0.17 -2.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 1ut1 s THR 133 CO 0.08 0.54 1.03 -0.83 -0.69 0.00 0.00 174.62 174.76 1ut1 s GLY 134 N 0.00 2.60 0.00 4.40 0.00 -0.19 -0.39 107.32 113.75 1ut1 s GLY 134 Ca -0.03 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1ut1 s GLY 134 CO 0.04 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.74 1ut1 n GLY 135 N -0.02 1.39 3.07 0.20 0.00 -0.20 -1.46 105.19 108.17 1ut1 n GLY 135 Ca 0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.65 0.46 -0.14 1.61 1.13 -0.70 -0.91 117.35 117.15 1ut1 s TYR 136 Ca 0.00 -0.95 -0.05 0.00 -1.41 0.00 0.00 57.07 54.67 1ut1 s TYR 136 Cb 0.00 -0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 1ut1 s TYR 136 CO 0.00 -0.34 0.03 -0.46 -2.51 0.00 0.00 175.55 172.27 1ut1 s TRP 137 N -3.37 3.19 0.00 -3.49 -0.11 0.63 -1.09 118.94 114.71 1ut1 s TRP 137 Ca 0.02 0.06 0.00 0.00 1.22 0.00 0.00 56.10 57.40 1ut1 s TRP 137 Cb 0.04 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 30.06 1ut1 s TRP 137 CO -0.08 0.25 0.22 0.00 -4.62 0.00 0.00 176.95 172.72