#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 -0.07 -0.01 1.61 1.04 -0.30 -4.96 113.70 111.00 1ut1 s SER 1 Ca 0.00 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1ut1 s SER 1 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1ut1 s SER 1 CO 0.00 -0.94 0.81 0.12 0.98 0.00 0.00 173.24 174.20 1ut1 s PHE 2 N -3.92 3.65 -0.29 5.02 2.19 -1.26 -0.84 117.98 122.52 1ut1 s PHE 2 Ca 0.13 1.45 -0.06 0.00 0.33 0.00 0.00 56.93 58.79 1ut1 s PHE 2 Cb 0.02 -2.91 0.01 0.00 -1.31 0.00 0.00 43.02 38.83 1ut1 s PHE 2 CO -0.02 0.11 0.05 0.99 1.83 0.00 0.00 175.22 178.18 1ut1 s THR 3 N 0.64 3.74 0.16 0.12 2.01 0.24 -4.96 115.64 117.59 1ut1 s THR 3 Ca 0.42 -0.79 -0.32 0.00 0.31 0.00 0.00 61.69 61.32 1ut1 s THR 3 Cb -0.20 -2.94 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1ut1 s THR 3 CO 0.23 0.08 1.63 -2.84 -0.69 0.00 0.00 174.62 173.03 1ut1 s PRO 4 N 1.46 4.19 -0.36 4.92 0.02 -1.26 -1.57 135.00 142.39 1ut1 s PRO 4 Ca 0.02 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 1ut1 s PRO 4 Cb -0.17 -3.23 0.19 0.00 0.02 0.00 0.00 34.50 31.31 1ut1 s PRO 4 CO 0.01 -0.67 0.91 0.45 -0.33 0.00 0.00 177.00 177.37 1ut1 s SER 5 N 1.43 -0.73 0.00 2.53 0.15 -0.47 -4.91 113.70 111.69 1ut1 s SER 5 Ca 0.72 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1ut1 s SER 5 Cb -0.45 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1ut1 s SER 5 CO 0.32 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ut1 n GLY 6 N 3.79 -0.44 3.42 9.45 0.00 -1.17 -3.33 105.19 116.91 1ut1 n GLY 6 Ca 0.08 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 1ut1 n GLY 6 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ut1 n THR 7 N 9.00 0.00 -5.09 2.61 -2.24 -1.26 -4.67 114.28 112.62 1ut1 n THR 7 Ca 0.00 -1.95 -0.30 0.00 -2.27 0.00 0.00 64.05 59.54 1ut1 n THR 7 Cb 0.00 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 67.97 1ut1 n THR 7 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ut1 s THR 8 N -2.44 1.83 -0.07 4.28 2.01 -1.26 -0.76 115.64 119.23 1ut1 s THR 8 Ca 0.29 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1ut1 s THR 8 Cb -0.02 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1ut1 s THR 8 CO 0.19 0.51 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.66 1ut1 s GLY 9 N 0.10 1.54 -0.19 4.40 0.00 -0.32 -4.97 107.32 107.88 1ut1 s GLY 9 Ca -0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1ut1 s GLY 9 CO 0.05 -0.62 -0.14 -1.59 0.00 0.00 0.00 173.10 170.80 1ut1 s THR 10 N -0.47 2.60 -0.21 0.90 2.01 -1.26 -1.24 115.64 117.97 1ut1 s THR 10 Ca 0.06 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 1ut1 s THR 10 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1ut1 s THR 10 CO 0.02 0.50 0.35 -0.89 -0.69 0.00 0.00 174.62 173.90 1ut1 s THR 11 N 1.23 5.23 -0.00 -0.82 2.01 0.34 -4.94 115.64 118.68 1ut1 s THR 11 Ca 0.03 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.71 1ut1 s THR 11 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1ut1 s THR 11 CO -0.07 0.28 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.35 1ut1 s LYS 12 N 1.22 1.95 -0.09 4.92 1.02 -1.26 -0.71 119.74 126.79 1ut1 s LYS 12 Ca 0.17 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 1ut1 s LYS 12 Cb -0.14 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1ut1 s LYS 12 CO 0.07 0.52 0.20 -1.17 -0.92 0.00 0.00 175.35 174.06 1ut1 s LEU 13 N -0.76 0.65 -0.23 3.17 2.96 -0.37 -4.80 118.68 119.30 1ut1 s LEU 13 Ca 0.10 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 1ut1 s LEU 13 Cb -0.10 0.60 -0.05 0.00 0.50 0.00 0.00 46.19 47.14 1ut1 s LEU 13 CO -0.00 -0.14 0.18 -0.89 -1.32 0.00 0.00 176.35 174.17 1ut1 s THR 14 N 1.05 5.35 -0.16 3.68 2.01 -0.82 -0.34 115.64 126.42 1ut1 s THR 14 Ca -0.08 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 1ut1 s THR 14 Cb -0.09 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ut1 s THR 14 CO -0.06 0.35 0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 1ut1 s VAL 15 N 0.96 5.14 0.41 3.82 1.01 0.03 -0.90 120.40 130.86 1ut1 s VAL 15 Ca 0.09 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1ut1 s VAL 15 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1ut1 s VAL 15 CO 0.04 0.52 0.13 0.42 0.00 0.00 0.00 175.10 176.22 1ut1 s THR 16 N -0.24 0.58 0.50 3.92 -4.23 -0.33 -1.66 115.64 114.18 1ut1 s THR 16 Ca 0.10 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1ut1 s THR 16 Cb -0.12 -2.35 0.11 0.00 1.34 0.00 0.00 72.50 71.48 1ut1 s THR 16 CO 0.01 0.00 0.69 -0.62 -0.54 0.00 0.00 174.62 174.16 1ut1 n GLU 17 N -0.90 -0.15 -0.21 3.99 -0.58 -1.26 -1.03 120.64 120.49 1ut1 n GLU 17 Ca -0.06 -1.56 -0.07 0.00 -0.42 0.00 0.00 57.16 55.06 1ut1 n GLU 17 Cb 0.65 -0.55 0.03 0.00 -0.57 0.00 0.00 31.44 31.00 1ut1 n GLU 17 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1ut1 h LYS 18 N 0.00 0.83 -6.68 3.49 1.57 -1.98 -3.35 116.57 110.45 1ut1 h LYS 18 Ca -0.23 -0.10 -0.56 0.00 -1.87 0.00 0.00 60.65 57.89 1ut1 h LYS 18 Cb 0.75 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 1ut1 h LYS 18 CO 0.21 0.64 0.91 0.00 -0.57 0.00 0.00 179.45 180.63 1ut1 s GLN 20 N 4.41 1.55 -0.26 0.00 -2.07 -1.26 -5.06 119.66 116.98 1ut1 s GLN 20 Ca 0.47 -0.42 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 1ut1 s GLN 20 Cb -0.07 -1.32 0.06 0.00 -1.09 0.00 0.00 33.01 30.58 1ut1 s GLN 20 CO 0.31 0.08 -0.11 0.08 -1.32 0.00 0.00 175.29 174.34 1ut1 s VAL 21 N 0.46 2.23 -0.17 3.63 1.01 -1.26 -5.09 120.40 121.20 1ut1 s VAL 21 Ca -0.10 -1.56 -0.27 0.00 0.00 0.00 0.00 61.98 60.05 1ut1 s VAL 21 Cb -0.14 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1ut1 s VAL 21 CO 0.03 0.01 0.93 -0.60 0.00 0.00 0.00 175.10 175.47 1ut1 s ARG 22 N 1.13 4.31 -0.14 2.72 3.52 -1.26 -5.03 118.95 124.20 1ut1 s ARG 22 Ca -0.07 1.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.73 1ut1 s ARG 22 Cb -0.19 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1ut1 s ARG 22 CO -0.05 -0.41 -0.18 0.08 -0.81 0.00 0.00 175.30 173.93 1ut1 s VAL 23 N 2.41 1.76 0.00 7.11 1.01 -1.26 -5.06 120.40 126.37 1ut1 s VAL 23 Ca 0.42 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ut1 s VAL 23 Cb -0.17 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1ut1 s VAL 23 CO 0.12 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1ut1 n GLY 24 N 4.38 -0.42 3.74 4.51 0.00 -1.26 -4.93 105.19 111.20 1ut1 n GLY 24 Ca -0.19 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 1ut1 n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ut1 s ASP 25 N -4.00 4.84 0.18 1.61 1.11 -1.26 -4.91 116.67 114.23 1ut1 s ASP 25 Ca 0.00 2.71 -0.32 0.00 0.18 0.00 0.00 52.55 55.12 1ut1 s ASP 25 Cb 0.00 -2.63 -0.11 0.00 1.07 0.00 0.00 42.92 41.25 1ut1 s ASP 25 CO 0.00 -1.86 1.70 -0.76 1.18 0.00 0.00 175.17 175.43 1ut1 s LEU 26 N -4.04 4.37 0.03 1.23 1.43 -1.26 -4.99 118.68 115.46 1ut1 s LEU 26 Ca 0.78 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.67 1ut1 s LEU 26 Cb -0.39 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 1ut1 s LEU 26 CO 0.44 -0.94 -0.06 0.42 0.23 0.00 0.00 176.35 176.44 1ut1 s THR 27 N 1.51 0.37 -0.01 5.49 -4.23 -1.26 -5.12 115.64 112.40 1ut1 s THR 27 Ca 0.75 -1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1ut1 s THR 27 Cb -0.47 -0.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 1ut1 s THR 27 CO 0.33 -0.44 1.60 -0.69 -0.54 0.00 0.00 174.62 174.87 1ut1 s VAL 28 N -1.48 3.47 0.04 2.29 1.01 -1.26 -4.97 120.40 119.50 1ut1 s VAL 28 Ca -0.12 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1ut1 s VAL 28 Cb -0.09 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1ut1 s VAL 28 CO -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 1ut1 s ALA 29 N 3.31 0.57 0.04 5.51 0.00 -1.26 -1.93 121.76 127.99 1ut1 s ALA 29 Ca 0.71 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1ut1 s ALA 29 Cb -0.35 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1ut1 s ALA 29 CO 0.29 -0.03 -0.05 0.15 0.00 0.00 0.00 175.76 176.12 1ut1 s LYS 30 N -1.62 0.48 0.52 0.00 1.02 -0.08 -4.94 119.74 115.12 1ut1 s LYS 30 Ca -0.10 -0.81 -0.13 0.00 0.02 0.00 0.00 55.97 54.96 1ut1 s LYS 30 Cb -0.10 -0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 1ut1 s LYS 30 CO 0.00 -0.02 0.94 0.95 -0.92 0.00 0.00 175.35 176.31 1ut1 s THR 31 N -1.92 4.67 0.46 2.17 -4.23 -1.26 -1.19 115.64 114.33 1ut1 s THR 31 Ca -0.08 0.90 0.32 0.00 -1.18 0.00 0.00 61.69 61.65 1ut1 s THR 31 Cb -0.06 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.33 1ut1 s THR 31 CO -0.02 -0.82 2.15 0.08 -0.54 0.00 0.00 174.62 175.48 1ut1 h ARG 32 N 0.53 0.00 0.00 3.99 0.11 -1.38 -0.82 114.38 116.82 1ut1 h ARG 32 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 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 0.62 0.07 -0.06 0.78 0.10 0.00 0.00 179.97 181.47 1ut1 h GLY 33 N 0.68 0.00 1.71 0.08 0.00 -1.85 -1.93 103.07 101.76 1ut1 h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ut1 h GLY 33 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1ut1 n GLN 34 N -3.53 0.29 -1.71 4.80 6.02 -0.31 -4.33 117.38 118.61 1ut1 n GLN 34 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 1ut1 n GLN 34 Cb 0.18 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 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 -1.36 7.53 -4.92 1.08 4.77 -0.72 -4.81 117.00 118.57 1ut1 n LEU 35 Ca 0.12 -4.49 -0.27 0.00 -0.03 0.00 0.00 56.01 51.34 1ut1 n LEU 35 Cb 0.27 -1.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1ut1 n LEU 35 CO 0.24 1.95 0.64 0.42 -1.33 0.00 0.00 177.39 179.31 1ut1 s THR 36 N -0.88 2.45 0.22 -5.08 -4.23 -1.26 -1.15 115.64 105.71 1ut1 s THR 36 Ca 0.58 -0.16 -0.32 0.00 -1.18 0.00 0.00 61.69 60.61 1ut1 s THR 36 Cb 0.25 -3.08 -0.14 0.00 1.34 0.00 0.00 72.50 70.87 1ut1 s THR 36 CO -0.12 -0.08 1.45 -0.67 -0.54 0.00 0.00 174.62 174.66 1ut1 n ASP 37 N -2.94 2.83 0.00 3.99 4.64 -1.26 -1.68 116.55 122.13 1ut1 n ASP 37 Ca 0.08 1.13 0.00 0.00 -1.38 0.00 0.00 54.79 54.61 1ut1 n ASP 37 Cb 0.60 -1.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 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 2.30 0.00 -1.77 -1.67 0.00 0.17 -4.95 120.51 114.58 1ut1 n ALA 38 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1ut1 n ALA 38 Cb 0.31 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1ut1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut1 s ALA 39 N -1.58 3.69 0.30 0.00 0.00 -0.68 -4.49 121.76 119.00 1ut1 s ALA 39 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.23 1ut1 s ALA 39 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 1ut1 s ALA 39 CO 0.00 -0.98 1.12 -1.25 0.00 0.00 0.00 175.76 174.65 1ut1 s PRO 40 N -0.94 4.55 -0.23 0.00 0.04 -1.26 -0.01 135.00 137.15 1ut1 s PRO 40 Ca 0.60 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.40 1ut1 s PRO 40 Cb -0.47 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.85 1ut1 s PRO 40 CO 0.52 0.12 -0.27 -0.89 0.04 0.00 0.00 177.00 176.52 1ut1 n ILE 41 N 1.01 1.25 0.00 0.56 5.41 0.32 -4.88 119.36 123.04 1ut1 n ILE 41 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1ut1 n ILE 41 Cb 0.45 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 1.79 0.53 3.93 7.39 0.00 -1.18 -5.01 105.19 112.64 1ut1 n GLY 42 Ca -0.43 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.07 1.61 0.04 -1.26 -1.12 135.00 135.72 1ut1 s PRO 43 Ca 0.00 -0.26 -0.00 0.00 0.04 0.00 0.00 61.00 60.78 1ut1 s PRO 43 Cb 0.00 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1ut1 s PRO 43 CO 0.00 0.21 -0.03 0.08 0.04 0.00 0.00 177.00 177.30 1ut1 s VAL 44 N -2.18 0.58 0.17 -0.36 1.01 0.95 -4.97 120.40 115.59 1ut1 s VAL 44 Ca 0.41 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1ut1 s VAL 44 Cb -0.10 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 1ut1 s VAL 44 CO 0.33 0.28 0.77 0.42 0.00 0.00 0.00 175.10 176.90 1ut1 s THR 45 N 1.61 4.38 -0.05 3.92 -4.23 -1.26 -0.29 115.64 119.73 1ut1 s THR 45 Ca 0.00 1.68 0.02 0.00 -1.18 0.00 0.00 61.69 62.20 1ut1 s THR 45 Cb -0.13 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.61 1ut1 s THR 45 CO -0.04 0.51 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.79 1ut1 s VAL 46 N -1.17 0.69 -0.13 2.29 1.01 -0.31 -4.94 120.40 117.84 1ut1 s VAL 46 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1ut1 s VAL 46 Cb -0.23 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1ut1 s VAL 46 CO 0.26 0.25 0.08 -1.58 0.00 0.00 0.00 175.10 174.11 1ut1 s GLN 47 N 0.74 0.06 0.10 2.72 2.00 -1.26 -0.83 119.66 123.19 1ut1 s GLN 47 Ca -0.11 0.06 -0.03 0.00 -2.00 0.00 0.00 55.36 53.27 1ut1 s GLN 47 Cb -0.14 -1.40 -0.05 0.00 0.80 0.00 0.00 33.01 32.22 1ut1 s GLN 47 CO 0.01 -0.55 0.30 0.00 -0.50 0.00 0.00 175.29 174.55 1ut1 s ALA 48 N 2.13 3.89 -0.05 1.58 0.00 -0.14 -5.02 121.76 124.15 1ut1 s ALA 48 Ca 0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1ut1 s ALA 48 Cb -0.15 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1ut1 s ALA 48 CO -0.07 0.74 0.21 -0.48 0.00 0.00 0.00 175.76 176.16 1ut1 s LEU 49 N -2.54 1.22 0.00 0.00 0.05 -1.26 -4.49 118.68 111.67 1ut1 s LEU 49 Ca 0.38 0.23 0.00 0.00 0.05 0.00 0.00 54.13 54.79 1ut1 s LEU 49 Cb -0.13 0.80 0.00 0.00 -2.05 0.00 0.00 46.19 44.81 1ut1 s LEU 49 CO 0.25 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.47 1ut1 n GLY 50 N 2.36 0.54 1.54 -3.48 0.00 -1.26 -4.93 105.19 99.96 1ut1 n GLY 50 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 1.61 0.00 -0.43 0.00 3.45 -1.92 -1.87 116.42 117.26 1ut1 h ASP 52 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1ut1 h ASP 52 Cb 2.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.80 1ut1 h ASP 52 CO 0.59 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.26 1ut1 n ALA 53 N -2.61 2.30 -2.41 3.45 0.00 -1.26 -3.42 120.51 116.56 1ut1 n ALA 53 Ca 0.07 -1.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.06 1ut1 n ALA 53 Cb 0.51 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 1ut1 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ut1 s ARG 54 N -1.14 1.21 -0.35 0.00 1.81 -0.76 -4.90 118.95 114.83 1ut1 s ARG 54 Ca 0.31 -1.43 -0.24 0.00 -1.72 0.00 0.00 55.73 52.65 1ut1 s ARG 54 Cb 0.17 -1.10 0.01 0.00 -0.45 0.00 0.00 34.95 33.58 1ut1 s ARG 54 CO 0.19 0.20 0.82 -0.65 -0.68 0.00 0.00 175.30 175.18 1ut1 s GLN 55 N -3.12 3.84 0.46 3.54 -0.21 -1.26 -1.61 119.66 121.29 1ut1 s GLN 55 Ca 0.16 0.47 -0.25 0.00 0.02 0.00 0.00 55.36 55.76 1ut1 s GLN 55 Cb -0.03 -3.78 -0.08 0.00 1.00 0.00 0.00 33.01 30.12 1ut1 s GLN 55 CO 0.05 -0.82 1.42 0.28 -2.12 0.00 0.00 175.29 174.10 1ut1 n VAL 56 N 5.75 2.87 -3.92 1.09 0.31 -1.26 -0.83 118.33 122.34 1ut1 n VAL 56 Ca 0.04 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 1ut1 n VAL 56 Cb 0.48 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 1ut1 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ut1 s ALA 57 N -1.20 -0.08 -0.04 3.52 0.00 -0.09 -0.59 121.76 123.27 1ut1 s ALA 57 Ca 0.62 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1ut1 s ALA 57 Cb -0.45 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ut1 s ALA 57 CO 0.57 -0.35 -0.17 -0.51 0.00 0.00 0.00 175.76 175.29 1ut1 s LEU 58 N -2.28 1.92 -0.11 0.00 1.43 0.39 -1.32 118.68 118.71 1ut1 s LEU 58 Ca -0.03 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1ut1 s LEU 58 Cb 0.00 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 1ut1 s LEU 58 CO -0.06 0.16 -0.17 -0.75 0.23 0.00 0.00 176.35 175.75 1ut1 s LYS 59 N 0.04 3.20 0.45 1.70 2.20 -0.26 -0.20 119.74 126.87 1ut1 s LYS 59 Ca -0.04 -0.76 -0.20 0.00 -0.36 0.00 0.00 55.97 54.61 1ut1 s LYS 59 Cb -0.12 -2.49 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 1ut1 s LYS 59 CO 0.02 0.23 0.97 0.00 -0.36 0.00 0.00 175.35 176.21 1ut1 s ALA 60 N 0.28 3.02 0.82 3.13 0.00 -0.22 -0.96 121.76 127.84 1ut1 s ALA 60 Ca -0.12 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1ut1 s ALA 60 Cb -0.16 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 19.89 1ut1 s ALA 60 CO 0.07 0.01 1.20 -0.25 0.00 0.00 0.00 175.76 176.78 1ut1 n ASP 61 N -0.86 0.95 0.07 0.00 9.92 -0.75 -4.86 116.55 121.02 1ut1 n ASP 61 Ca 0.07 0.57 0.14 0.00 -0.53 0.00 0.00 54.79 55.04 1ut1 n ASP 61 Cb 0.54 -1.51 0.63 0.00 -0.64 0.00 0.00 41.12 40.15 1ut1 n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1ut1 h THR 62 N -1.02 0.86 -0.27 -3.53 2.02 -1.94 -0.26 112.91 108.78 1ut1 h THR 62 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1ut1 h THR 62 Cb 1.30 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ut1 h THR 62 CO 0.45 0.02 0.00 -0.90 0.37 0.00 0.00 175.52 175.46 1ut1 n ASP 63 N -4.45 3.16 -0.00 4.18 5.68 -1.26 -4.00 116.55 119.86 1ut1 n ASP 63 Ca 0.05 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 1ut1 n ASP 63 Cb 0.37 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1ut1 n ASP 63 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ut1 n ASN 64 N 0.29 1.67 -3.53 -1.12 3.02 -0.11 -4.47 115.26 111.01 1ut1 n ASN 64 Ca 0.13 -1.84 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 1ut1 n ASN 64 Cb 0.68 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.85 -0.37 -0.19 3.10 -0.12 -1.25 -0.71 117.98 117.59 1ut1 s PHE 65 Ca 0.00 0.11 -0.04 0.00 -0.05 0.00 0.00 56.93 56.95 1ut1 s PHE 65 Cb 0.00 0.41 0.08 0.00 -0.63 0.00 0.00 43.02 42.89 1ut1 s PHE 65 CO 0.00 -0.78 0.19 -1.83 -0.05 0.00 0.00 175.22 172.75 1ut1 s GLU 66 N -3.78 0.15 5.40 1.99 -1.05 -0.58 -4.99 118.70 115.85 1ut1 s GLU 66 Ca 0.02 0.19 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1ut1 s GLU 66 Cb 0.00 -1.23 0.00 0.00 -0.44 0.00 0.00 34.13 32.46 1ut1 s GLU 66 CO -0.12 -0.63 0.00 1.04 0.95 0.00 0.00 175.26 176.50 1ut1 n GLN 67 N 5.31 0.00 0.00 -4.83 6.02 -1.26 -1.22 117.38 121.40 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 0.50 0.00 1.02 0.00 0.00 30.24 32.25 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 -0.10 3.72 1.08 0.00 -1.26 -3.05 105.19 105.58 1ut1 n GLY 68 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.09 3.24 0.13 1.61 1.02 -0.36 -4.98 119.74 118.31 1ut1 s LYS 69 Ca 0.35 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.07 1ut1 s LYS 69 Cb 0.21 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1ut1 s LYS 69 CO 0.37 0.66 0.06 -0.06 -0.92 0.00 0.00 175.35 175.46 1ut1 s PHE 70 N -0.74 3.04 -0.03 3.18 0.40 -1.26 -1.52 117.98 121.05 1ut1 s PHE 70 Ca 0.12 -0.03 -0.24 0.00 -0.60 0.00 0.00 56.93 56.18 1ut1 s PHE 70 Cb -0.12 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.95 1ut1 s PHE 70 CO 0.02 0.51 0.51 -0.59 0.70 0.00 0.00 175.22 176.37 1ut1 s PHE 71 N -1.56 -0.44 0.40 0.36 -0.12 0.11 -1.53 117.98 115.21 1ut1 s PHE 71 Ca 0.28 0.71 -0.23 0.00 -0.05 0.00 0.00 56.93 57.65 1ut1 s PHE 71 Cb -0.11 0.27 -0.10 0.00 -0.63 0.00 0.00 43.02 42.45 1ut1 s PHE 71 CO 0.21 -0.52 0.96 -0.51 -0.05 0.00 0.00 175.22 175.31 1ut1 s LEU 72 N -1.31 4.05 -0.06 -1.99 1.02 0.11 -4.41 118.68 116.09 1ut1 s LEU 72 Ca -0.12 1.78 0.05 0.00 0.02 0.00 0.00 54.13 55.86 1ut1 s LEU 72 Cb -0.02 -4.37 -0.02 0.00 0.02 0.00 0.00 46.19 41.80 1ut1 s LEU 72 CO 0.07 -0.33 -0.20 -0.51 0.02 0.00 0.00 176.35 175.40 1ut1 s ILE 73 N -1.97 2.56 0.86 -0.59 1.10 -0.57 -1.01 121.20 121.58 1ut1 s ILE 73 Ca 0.59 -0.89 -0.11 0.00 -0.51 0.00 0.00 60.65 59.72 1ut1 s ILE 73 Cb -0.13 -1.98 0.11 0.00 0.15 0.00 0.00 42.46 40.62 1ut1 s ILE 73 CO 0.18 0.57 1.17 -0.55 -2.11 0.00 0.00 174.94 174.20 1ut1 s SER 74 N -0.35 3.27 0.27 4.50 0.15 -0.06 -1.40 113.70 120.09 1ut1 s SER 74 Ca 0.02 2.25 0.22 0.00 0.70 0.00 0.00 55.95 59.15 1ut1 s SER 74 Cb -0.12 -2.58 1.01 0.00 -1.71 0.00 0.00 66.02 62.63 1ut1 s SER 74 CO 0.02 -2.87 1.66 0.47 1.20 0.00 0.00 173.24 173.72 1ut1 n ASP 75 N -3.79 0.58 -0.02 5.45 8.00 0.25 -0.47 116.55 126.55 1ut1 n ASP 75 Ca 0.12 0.70 0.13 0.00 0.71 0.00 0.00 54.79 56.45 1ut1 n ASP 75 Cb 0.51 -0.80 0.75 0.00 -0.02 0.00 0.00 41.12 41.57 1ut1 n ASP 75 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ut1 n ASN 76 N -2.20 0.06 0.00 -2.24 2.04 -1.26 -4.92 115.26 106.74 1ut1 n ASN 76 Ca 0.01 -1.21 0.00 0.00 -0.44 0.00 0.00 54.58 52.94 1ut1 n ASN 76 Cb 0.14 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 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 -0.86 -0.65 -0.04 0.53 5.03 0.38 -4.80 115.26 114.85 1ut1 n ASN 77 Ca 0.19 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.55 1ut1 n ASN 77 Cb 0.10 -1.75 -0.03 0.00 -1.02 0.00 0.00 39.78 37.08 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 -1.79 0.23 -2.27 3.52 1.74 -1.26 -4.90 116.66 111.93 1ut1 n ARG 78 Ca 0.00 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1ut1 n ARG 78 Cb 0.04 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1ut1 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ut1 s ASP 79 N -6.01 6.95 0.02 0.55 1.01 -1.26 -4.87 116.67 113.05 1ut1 s ASP 79 Ca -0.15 2.28 0.05 0.00 0.71 0.00 0.00 52.55 55.44 1ut1 s ASP 79 Cb 0.05 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1ut1 s ASP 79 CO 0.19 -0.52 -0.13 -0.54 0.21 0.00 0.00 175.17 174.38 1ut1 s LYS 80 N 0.39 2.30 -0.31 8.23 1.02 -1.26 -0.88 119.74 129.23 1ut1 s LYS 80 Ca 0.58 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1ut1 s LYS 80 Cb -0.34 -2.32 0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1ut1 s LYS 80 CO 0.34 0.57 0.05 -1.17 -0.92 0.00 0.00 175.35 174.22 1ut1 s LEU 81 N -1.33 3.41 0.23 3.17 2.96 -0.18 -4.97 118.68 121.96 1ut1 s LEU 81 Ca 0.15 -1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 51.99 1ut1 s LEU 81 Cb -0.11 -1.26 -0.09 0.00 0.50 0.00 0.00 46.19 45.23 1ut1 s LEU 81 CO 0.05 -0.36 1.32 -0.31 -1.32 0.00 0.00 176.35 175.73 1ut1 s TYR 82 N 1.26 3.21 0.09 5.38 1.51 -1.26 -0.71 117.35 126.83 1ut1 s TYR 82 Ca 0.07 1.24 0.02 0.00 -1.01 0.00 0.00 57.07 57.39 1ut1 s TYR 82 Cb -0.18 -3.63 -0.04 0.00 -0.11 0.00 0.00 41.96 38.00 1ut1 s TYR 82 CO -0.14 -1.92 -0.07 0.14 -1.11 0.00 0.00 175.55 172.45 1ut1 s VAL 83 N -0.14 0.67 -0.01 0.71 -7.23 -0.58 -1.01 120.40 112.80 1ut1 s VAL 83 Ca 0.55 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1ut1 s VAL 83 Cb -0.37 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1ut1 s VAL 83 CO 0.41 -0.80 0.02 0.20 -0.31 0.00 0.00 175.10 174.62 1ut1 s ASN 84 N -2.81 5.25 -0.12 4.85 0.01 0.53 -4.12 114.94 118.53 1ut1 s ASN 84 Ca 0.08 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1ut1 s ASN 84 Cb 0.03 -1.42 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 1ut1 s ASN 84 CO -0.04 0.29 -0.17 0.27 -1.51 0.00 0.00 177.10 175.95 1ut1 s ILE 85 N -1.08 2.72 -0.09 0.60 -4.36 -1.26 -1.14 121.20 116.58 1ut1 s ILE 85 Ca 0.19 -0.78 -0.04 0.00 -0.26 0.00 0.00 60.65 59.76 1ut1 s ILE 85 Cb -0.12 -2.12 0.05 0.00 1.25 0.00 0.00 42.46 41.53 1ut1 s ILE 85 CO 0.10 0.53 0.21 -0.60 0.24 0.00 0.00 174.94 175.42 1ut1 s ARG 86 N 0.38 0.15 0.58 0.37 3.52 -0.53 -4.97 118.95 118.46 1ut1 s ARG 86 Ca -0.13 0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 55.79 1ut1 s ARG 86 Cb -0.17 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.04 1ut1 s ARG 86 CO 0.06 -0.19 1.18 -1.25 -0.81 0.00 0.00 175.30 174.30 1ut1 s PRO 87 N 1.43 3.06 0.04 5.12 0.04 -1.26 -0.37 135.00 143.07 1ut1 s PRO 87 Ca -0.07 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.00 1ut1 s PRO 87 Cb -0.11 -1.95 1.00 0.00 0.04 0.00 0.00 34.50 33.48 1ut1 s PRO 87 CO -0.08 -1.12 1.79 0.25 0.04 0.00 0.00 177.00 177.89 1ut1 n THR 88 N -1.54 0.13 -0.23 1.26 -2.24 -0.11 -3.49 114.28 108.05 1ut1 n THR 88 Ca 0.13 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1ut1 n THR 88 Cb 0.50 -0.38 0.31 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.67 3.83 -3.49 3.42 3.85 -1.26 -4.96 116.55 116.26 1ut1 n ASP 89 Ca 0.06 -2.09 -0.24 0.00 -0.71 0.00 0.00 54.79 51.82 1ut1 n ASP 89 Cb 0.36 -0.48 -0.02 0.00 -1.35 0.00 0.00 41.12 39.63 1ut1 n ASP 89 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1ut1 n ASN 90 N 1.41 -2.64 -4.77 -1.12 2.04 -1.23 -4.96 115.26 103.99 1ut1 n ASN 90 Ca 0.23 -0.43 -0.30 0.00 -0.44 0.00 0.00 54.58 53.64 1ut1 n ASN 90 Cb 0.63 -2.25 0.11 0.00 -2.53 0.00 0.00 39.78 35.74 1ut1 n ASN 90 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1ut1 s SER 91 N -2.71 4.15 -0.16 0.53 1.04 -1.26 -5.00 113.70 110.29 1ut1 s SER 91 Ca 0.43 1.43 -0.15 0.00 0.48 0.00 0.00 55.95 58.14 1ut1 s SER 91 Cb -0.24 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1ut1 s SER 91 CO 0.53 -2.20 0.33 0.00 0.98 0.00 0.00 173.24 172.88 1ut1 s ALA 92 N -3.05 3.57 0.14 5.32 0.00 -1.26 -4.85 121.76 121.62 1ut1 s ALA 92 Ca 0.62 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1ut1 s ALA 92 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ut1 s ALA 92 CO 0.55 0.03 -0.07 -1.58 0.00 0.00 0.00 175.76 174.69 1ut1 s TRP 93 N 0.59 1.13 0.01 0.00 0.52 -1.26 -0.95 118.94 118.97 1ut1 s TRP 93 Ca 0.18 -0.85 0.06 0.00 0.02 0.00 0.00 56.10 55.51 1ut1 s TRP 93 Cb -0.13 -0.61 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1ut1 s TRP 93 CO 0.05 -0.04 -0.19 0.99 0.02 0.00 0.00 176.95 177.78 1ut1 s THR 94 N -3.48 1.48 -0.17 2.01 2.01 0.10 -4.87 115.64 112.73 1ut1 s THR 94 Ca 0.16 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 1ut1 s THR 94 Cb 0.04 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1ut1 s THR 94 CO -0.01 0.31 0.03 -0.89 -0.69 0.00 0.00 174.62 173.37 1ut1 s THR 95 N -0.58 4.49 -0.27 -0.82 2.01 -1.26 -0.72 115.64 118.49 1ut1 s THR 95 Ca 0.07 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ut1 s THR 95 Cb -0.08 -3.00 0.11 0.00 0.01 0.00 0.00 72.50 69.55 1ut1 s THR 95 CO 0.00 0.48 0.21 -0.62 -0.69 0.00 0.00 174.62 174.00 1ut1 s ASP 96 N 0.26 2.40 -1.12 3.53 3.68 0.27 -4.98 116.67 120.72 1ut1 s ASP 96 Ca 0.01 -0.88 -0.24 0.00 2.13 0.00 0.00 52.55 53.58 1ut1 s ASP 96 Cb -0.13 0.11 0.02 0.00 -1.45 0.00 0.00 42.92 41.47 1ut1 s ASP 96 CO 0.01 -0.40 0.72 -3.20 0.13 0.00 0.00 175.17 172.43 1ut1 n ASN 97 N 5.29 -4.83 0.00 -0.34 5.15 -1.24 -1.46 115.26 117.83 1ut1 n ASN 97 Ca -0.04 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1ut1 n ASN 97 Cb 0.45 -2.46 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 1ut1 n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ut1 n GLY 98 N -1.87 2.28 3.61 8.20 0.00 -1.17 -4.96 105.19 111.28 1ut1 n GLY 98 Ca -0.12 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 -2.34 4.35 -0.30 1.61 1.01 -0.54 -1.05 120.40 123.15 1ut1 s VAL 99 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1ut1 s VAL 99 Cb 0.00 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1ut1 s VAL 99 CO 0.00 0.52 -0.00 0.12 0.00 0.00 0.00 175.10 175.74 1ut1 s PHE 100 N -0.06 3.31 0.15 5.22 5.36 0.72 -0.56 117.98 132.12 1ut1 s PHE 100 Ca 0.04 -2.03 0.09 0.00 -0.96 0.00 0.00 56.93 54.07 1ut1 s PHE 100 Cb -0.13 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.32 1ut1 s PHE 100 CO 0.02 -0.83 -0.20 1.52 -1.46 0.00 0.00 175.22 174.26 1ut1 s TYR 101 N 1.21 1.90 0.20 10.12 1.13 0.10 -0.46 117.35 131.54 1ut1 s TYR 101 Ca -0.04 -0.43 -0.26 0.00 -1.41 0.00 0.00 57.07 54.92 1ut1 s TYR 101 Cb -0.20 -0.98 -0.08 0.00 -1.10 0.00 0.00 41.96 39.60 1ut1 s TYR 101 CO -0.02 0.32 0.82 0.21 -2.51 0.00 0.00 175.55 174.37 1ut1 s LYS 102 N -2.47 4.63 0.51 -3.49 2.20 0.24 0.01 119.74 121.36 1ut1 s LYS 102 Ca 0.14 1.24 0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1ut1 s LYS 102 Cb -0.08 -3.23 1.20 0.00 -1.51 0.00 0.00 37.83 34.21 1ut1 s LYS 102 CO 0.06 0.54 1.93 -0.91 -0.36 0.00 0.00 175.35 176.61 1ut1 h ASN 103 N 4.18 0.00 -2.90 1.43 -0.26 -1.38 -3.43 115.58 113.22 1ut1 h ASN 103 Ca -0.47 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 54.66 1ut1 h ASN 103 Cb 1.20 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.34 1ut1 h ASN 103 CO 0.66 0.10 -0.69 -0.62 -1.06 0.00 0.00 177.43 175.82 1ut1 s ASP 104 N -5.92 4.49 0.78 5.81 3.68 -1.26 -5.07 116.67 119.17 1ut1 s ASP 104 Ca 0.01 -0.51 -0.11 0.00 2.13 0.00 0.00 52.55 54.07 1ut1 s ASP 104 Cb 0.10 -0.85 0.06 0.00 -1.45 0.00 0.00 42.92 40.77 1ut1 s ASP 104 CO 0.58 0.09 1.09 0.68 0.13 0.00 0.00 175.17 177.74 1ut1 s VAL 105 N -1.75 3.25 0.00 1.11 -7.23 -1.26 -4.40 120.40 110.11 1ut1 s VAL 105 Ca 0.26 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1ut1 s VAL 105 Cb -0.09 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1ut1 s VAL 105 CO 0.17 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1ut1 n GLY 106 N -2.03 4.30 3.40 2.32 0.00 -0.64 -4.93 105.19 107.60 1ut1 n GLY 106 Ca 0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1ut1 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ut1 n SER 107 N 0.00 4.85 -4.77 1.61 7.64 -1.22 -4.44 113.62 117.29 1ut1 n SER 107 Ca 0.00 -2.93 -0.39 0.00 1.01 0.00 0.00 58.87 56.56 1ut1 n SER 107 Cb 0.00 -1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 61.50 1ut1 n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1ut1 s TRP 108 N 3.35 3.01 -0.10 1.43 -0.00 -1.26 -4.63 118.94 120.73 1ut1 s TRP 108 Ca 0.50 1.50 0.02 0.00 -0.00 0.00 0.00 56.10 58.12 1ut1 s TRP 108 Cb 0.04 -3.52 0.01 0.00 -0.00 0.00 0.00 33.47 30.01 1ut1 s TRP 108 CO 0.04 -1.61 -0.16 0.20 -0.00 0.00 0.00 176.95 175.41 1ut1 s GLY 109 N -0.91 1.04 0.09 5.86 0.00 -1.26 -0.96 107.32 111.18 1ut1 s GLY 109 Ca 0.55 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 1ut1 s GLY 109 CO 0.44 0.08 0.51 0.61 0.00 0.00 0.00 173.10 174.75 1ut1 n GLY 110 N 3.96 0.94 3.01 0.20 0.00 -0.01 -5.02 105.19 108.28 1ut1 n GLY 110 Ca -0.20 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.31 1.04 -0.21 -0.61 1.01 -1.26 -1.16 121.20 117.70 1ut1 s ILE 111 Ca 0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1ut1 s ILE 111 Cb -0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1ut1 s ILE 111 CO 0.03 0.33 0.07 -0.63 0.00 0.00 0.00 174.94 174.74 1ut1 s ILE 112 N 0.66 4.63 0.07 2.92 -1.09 0.60 -0.93 121.20 128.06 1ut1 s ILE 112 Ca -0.14 -0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.06 1ut1 s ILE 112 Cb -0.15 -3.11 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 1ut1 s ILE 112 CO 0.03 0.41 0.46 -0.83 -1.23 0.00 0.00 174.94 173.79 1ut1 s GLY 113 N 0.80 2.47 -0.18 6.18 0.00 0.50 -0.04 107.32 117.06 1ut1 s GLY 113 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 1ut1 s GLY 113 CO 0.02 0.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.68 1ut1 s ILE 114 N -1.26 2.69 0.05 0.90 -1.09 -0.27 -1.45 121.20 120.77 1ut1 s ILE 114 Ca 0.30 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1ut1 s ILE 114 Cb -0.16 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 1ut1 s ILE 114 CO 0.17 0.50 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.92 1ut1 s TYR 115 N 1.09 1.31 0.20 3.97 2.02 -0.30 -0.52 117.35 125.12 1ut1 s TYR 115 Ca -0.00 -0.38 -0.32 0.00 -0.37 0.00 0.00 57.07 55.99 1ut1 s TYR 115 Cb -0.14 -0.76 -0.12 0.00 -0.40 0.00 0.00 41.96 40.53 1ut1 s TYR 115 CO -0.04 0.05 1.71 0.28 -1.57 0.00 0.00 175.55 175.98 1ut1 n VAL 116 N 1.71 0.01 -3.46 0.71 0.31 0.98 -0.34 118.33 118.25 1ut1 n VAL 116 Ca -0.19 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 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 1.17 6.09 0.00 4.52 2.15 -0.18 -0.65 116.67 129.76 1ut1 s ASP 117 Ca 0.76 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 51.40 1ut1 s ASP 117 Cb -0.53 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ut1 s ASP 117 CO 0.33 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1ut1 n GLY 118 N 4.39 -0.14 3.66 2.66 0.00 -1.26 -4.71 105.19 109.79 1ut1 n GLY 118 Ca 0.01 -1.43 -0.48 0.00 0.00 0.00 0.00 46.02 44.13 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 0.60 1.99 -2.75 1.61 7.27 -1.26 -4.41 117.38 120.42 1ut1 n GLN 119 Ca 0.00 0.72 -0.11 0.00 0.07 0.00 0.00 57.00 57.68 1ut1 n GLN 119 Cb 0.00 -2.49 0.02 0.00 2.41 0.00 0.00 30.24 30.18 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 4.01 1.20 0.00 3.69 6.02 -0.30 -4.93 117.38 127.07 1ut1 n GLN 120 Ca 0.19 -3.33 0.14 0.00 -0.01 0.00 0.00 57.00 53.99 1ut1 n GLN 120 Cb 0.27 -1.37 0.81 0.00 1.02 0.00 0.00 30.24 30.98 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 -0.01 0.00 -0.81 5.09 -2.24 -1.23 -2.20 114.28 112.87 1ut1 n THR 121 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1ut1 n THR 121 Cb 0.78 -0.55 0.28 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.99 4.17 -4.78 3.42 3.02 -1.26 -4.20 115.26 114.65 1ut1 n ASN 122 Ca 0.21 -2.78 -0.41 0.00 -0.03 0.00 0.00 54.58 51.57 1ut1 n ASN 122 Cb 0.09 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1ut1 n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ut1 s THR 123 N -2.42 2.16 0.48 3.41 2.01 -0.93 -4.95 115.64 115.39 1ut1 s THR 123 Ca 0.43 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 1ut1 s THR 123 Cb 0.32 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 1ut1 s THR 123 CO 0.13 0.04 1.12 -2.84 -0.69 0.00 0.00 174.62 172.37 1ut1 s PRO 124 N -2.10 3.71 0.58 4.92 0.02 -1.26 -4.82 135.00 136.04 1ut1 s PRO 124 Ca 0.53 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.97 1ut1 s PRO 124 Cb -0.45 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 1ut1 s PRO 124 CO 0.61 -0.56 1.35 -2.14 -0.33 0.00 0.00 177.00 175.92 1ut1 s PRO 125 N -2.93 2.93 0.00 5.54 0.02 -1.26 -4.84 135.00 134.45 1ut1 s PRO 125 Ca 0.66 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1ut1 s PRO 125 Cb -0.24 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1ut1 s PRO 125 CO 0.29 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.02 1ut1 n GLY 126 N 0.79 0.75 3.50 0.52 0.00 -0.66 -4.96 105.19 105.13 1ut1 n GLY 126 Ca 0.12 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 5.90 0.11 1.61 0.01 -1.26 -0.79 114.94 120.51 1ut1 s ASN 127 Ca 0.00 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 1ut1 s ASN 127 Cb 0.00 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1ut1 s ASN 127 CO 0.00 -0.22 0.07 -0.31 -1.51 0.00 0.00 177.10 175.13 1ut1 s TYR 128 N 1.69 3.11 0.00 2.20 2.02 0.54 -0.58 117.35 126.33 1ut1 s TYR 128 Ca 0.06 0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.71 1ut1 s TYR 128 Cb -0.17 -1.56 -0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1ut1 s TYR 128 CO 0.09 0.51 0.11 0.95 -1.57 0.00 0.00 175.55 175.65 1ut1 s THR 129 N -1.48 0.08 -0.09 -0.71 -4.23 -0.49 -1.24 115.64 107.49 1ut1 s THR 129 Ca 0.29 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1ut1 s THR 129 Cb -0.11 -0.39 0.02 0.00 1.34 0.00 0.00 72.50 73.36 1ut1 s THR 129 CO 0.21 -0.37 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.62 1ut1 s LEU 130 N -1.29 1.33 -0.19 4.79 2.96 0.11 -1.51 118.68 124.89 1ut1 s LEU 130 Ca -0.14 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1ut1 s LEU 130 Cb -0.07 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 1ut1 s LEU 130 CO 0.01 -0.06 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.99 1ut1 s THR 131 N 1.26 2.97 -0.10 3.68 2.01 -1.26 -0.51 115.64 123.70 1ut1 s THR 131 Ca -0.04 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1ut1 s THR 131 Cb -0.14 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1ut1 s THR 131 CO -0.03 0.47 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.38 1ut1 s LEU 132 N 1.20 2.06 -0.10 4.42 1.43 -0.38 -1.82 118.68 125.50 1ut1 s LEU 132 Ca 0.02 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1ut1 s LEU 132 Cb -0.14 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1ut1 s LEU 132 CO -0.04 0.15 -0.11 -0.89 0.23 0.00 0.00 176.35 175.70 1ut1 s THR 133 N 0.36 3.30 0.50 5.49 2.01 -0.13 -1.18 115.64 125.99 1ut1 s THR 133 Ca -0.19 -0.60 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 1ut1 s THR 133 Cb -0.18 -2.37 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 1ut1 s THR 133 CO 0.09 0.55 1.03 -0.83 -0.69 0.00 0.00 174.62 174.77 1ut1 s GLY 134 N -0.14 2.44 0.00 4.40 0.00 0.06 -1.10 107.32 112.98 1ut1 s GLY 134 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1ut1 s GLY 134 CO 0.03 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.61 1ut1 n GLY 135 N -0.42 -0.63 3.14 0.20 0.00 -0.43 -1.37 105.19 105.68 1ut1 n GLY 135 Ca 0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1ut1 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ut1 s TYR 136 N -3.32 0.43 -0.36 1.61 1.13 -0.61 -0.92 117.35 115.31 1ut1 s TYR 136 Ca 0.00 -0.92 -0.16 0.00 -1.41 0.00 0.00 57.07 54.58 1ut1 s TYR 136 Cb 0.00 -0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 40.58 1ut1 s TYR 136 CO 0.00 -0.46 0.39 -0.46 -2.51 0.00 0.00 175.55 172.51 1ut1 s TRP 137 N -3.91 3.20 -0.84 -3.49 -0.11 -0.01 -0.59 118.94 113.18 1ut1 s TRP 137 Ca 0.08 -0.08 0.07 0.00 1.22 0.00 0.00 56.10 57.39 1ut1 s TRP 137 Cb 0.07 -2.73 0.05 0.00 -1.50 0.00 0.00 33.47 29.36 1ut1 s TRP 137 CO -0.09 -0.49 0.71 0.00 -4.62 0.00 0.00 176.95 172.46