#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 -0.20 0.02 1.61 1.04 0.23 -4.92 113.70 111.48 1ut1 s SER 1 Ca 0.00 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1ut1 s SER 1 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1ut1 s SER 1 CO 0.00 -0.99 0.60 0.12 0.98 0.00 0.00 173.24 173.95 1ut1 s PHE 2 N -3.88 3.72 -0.27 5.02 2.19 -1.26 -1.48 117.98 122.02 1ut1 s PHE 2 Ca 0.10 1.25 -0.00 0.00 0.33 0.00 0.00 56.93 58.60 1ut1 s PHE 2 Cb 0.00 -2.60 0.05 0.00 -1.31 0.00 0.00 43.02 39.16 1ut1 s PHE 2 CO -0.04 0.41 -0.05 0.99 1.83 0.00 0.00 175.22 178.36 1ut1 s THR 3 N -0.42 2.72 0.19 0.12 2.01 0.29 -4.98 115.64 115.57 1ut1 s THR 3 Ca 0.31 -1.35 -0.32 0.00 0.31 0.00 0.00 61.69 60.64 1ut1 s THR 3 Cb -0.19 -2.52 -0.11 0.00 0.01 0.00 0.00 72.50 69.69 1ut1 s THR 3 CO 0.18 0.01 1.70 -2.84 -0.69 0.00 0.00 174.62 172.98 1ut1 s PRO 4 N 1.23 4.14 -0.36 4.92 0.02 -1.26 -1.32 135.00 142.37 1ut1 s PRO 4 Ca -0.05 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 1ut1 s PRO 4 Cb -0.19 -3.13 0.19 0.00 0.02 0.00 0.00 34.50 31.39 1ut1 s PRO 4 CO -0.03 -0.73 0.91 0.45 -0.33 0.00 0.00 177.00 177.26 1ut1 s SER 5 N 1.28 -0.75 0.00 2.53 0.15 -0.48 -4.91 113.70 111.52 1ut1 s SER 5 Ca 0.74 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1ut1 s SER 5 Cb -0.48 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1ut1 s SER 5 CO 0.32 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ut1 n GLY 6 N 3.80 -0.24 3.91 9.45 0.00 -1.19 -3.51 105.19 117.41 1ut1 n GLY 6 Ca 0.08 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 1ut1 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ut1 s THR 7 N -2.85 2.61 -0.14 2.61 -4.23 -1.26 -4.66 115.64 107.73 1ut1 s THR 7 Ca 0.00 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1ut1 s THR 7 Cb 0.00 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1ut1 s THR 7 CO 0.00 0.00 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.06 1ut1 s THR 8 N -2.48 3.00 -0.10 3.99 2.01 -1.26 -0.95 115.64 119.85 1ut1 s THR 8 Ca 0.49 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1ut1 s THR 8 Cb -0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1ut1 s THR 8 CO 0.29 0.52 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.86 1ut1 s GLY 9 N 0.51 1.73 -0.15 4.40 0.00 0.22 -4.97 107.32 109.05 1ut1 s GLY 9 Ca -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1ut1 s GLY 9 CO 0.04 -0.48 -0.17 -1.59 0.00 0.00 0.00 173.10 170.90 1ut1 s THR 10 N -0.50 2.53 -0.27 0.90 2.01 -1.26 -1.04 115.64 118.01 1ut1 s THR 10 Ca 0.08 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1ut1 s THR 10 Cb -0.12 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1ut1 s THR 10 CO 0.02 0.53 0.09 -0.89 -0.69 0.00 0.00 174.62 173.68 1ut1 s THR 11 N 0.74 4.29 0.14 -0.82 2.01 0.71 -4.98 115.64 117.73 1ut1 s THR 11 Ca -0.07 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1ut1 s THR 11 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1ut1 s THR 11 CO 0.01 0.22 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.48 1ut1 s LYS 12 N 1.59 1.92 -0.19 4.92 1.02 -1.26 -0.54 119.74 127.20 1ut1 s LYS 12 Ca 0.05 -1.19 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 1ut1 s LYS 12 Cb -0.16 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1ut1 s LYS 12 CO 0.04 0.47 0.46 -1.17 -0.92 0.00 0.00 175.35 174.22 1ut1 s LEU 13 N -2.38 -0.16 -0.24 3.17 2.96 -0.45 -4.77 118.68 116.81 1ut1 s LEU 13 Ca 0.21 0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 55.01 1ut1 s LEU 13 Cb -0.10 1.53 -0.05 0.00 0.50 0.00 0.00 46.19 48.07 1ut1 s LEU 13 CO 0.12 -0.19 0.14 -0.89 -1.32 0.00 0.00 176.35 174.21 1ut1 s THR 14 N 1.24 5.11 -0.18 3.68 2.01 -0.50 -0.60 115.64 126.40 1ut1 s THR 14 Ca -0.08 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 1ut1 s THR 14 Cb -0.07 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1ut1 s THR 14 CO -0.12 0.34 0.19 -0.69 -0.69 0.00 0.00 174.62 173.66 1ut1 s VAL 15 N 1.20 5.37 0.43 3.82 1.01 -0.17 -0.86 120.40 131.20 1ut1 s VAL 15 Ca 0.07 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1ut1 s VAL 15 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ut1 s VAL 15 CO 0.05 0.44 0.09 0.42 0.00 0.00 0.00 175.10 176.10 1ut1 s THR 16 N 0.26 0.80 0.69 3.92 -4.23 -0.27 -1.28 115.64 115.54 1ut1 s THR 16 Ca 0.12 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1ut1 s THR 16 Cb -0.12 -2.35 0.14 0.00 1.34 0.00 0.00 72.50 71.51 1ut1 s THR 16 CO 0.01 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.42 1ut1 n GLU 17 N -0.98 -0.24 -0.36 3.99 -0.58 -1.26 -0.58 120.64 120.63 1ut1 n GLU 17 Ca -0.09 -2.33 -0.01 0.00 -0.42 0.00 0.00 57.16 54.31 1ut1 n GLU 17 Cb 0.66 -0.71 0.12 0.00 -0.57 0.00 0.00 31.44 30.94 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 1.23 -6.30 3.49 3.64 -1.98 -3.31 116.57 113.34 1ut1 h LYS 18 Ca -0.31 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.42 1ut1 h LYS 18 Cb 1.09 -0.28 -0.09 0.00 -0.41 0.00 0.00 32.23 32.54 1ut1 h LYS 18 CO 0.31 0.81 0.84 0.00 -2.27 0.00 0.00 179.45 179.14 1ut1 s GLN 20 N 4.67 3.14 -0.35 0.00 0.74 -1.25 -5.06 119.66 121.54 1ut1 s GLN 20 Ca 0.38 -0.80 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 1ut1 s GLN 20 Cb -0.09 -2.53 0.09 0.00 1.10 0.00 0.00 33.01 31.58 1ut1 s GLN 20 CO 0.22 0.03 0.09 0.08 -0.55 0.00 0.00 175.29 175.16 1ut1 s VAL 21 N 0.76 2.82 0.03 1.34 1.01 -1.26 -5.08 120.40 120.01 1ut1 s VAL 21 Ca -0.07 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 59.63 1ut1 s VAL 21 Cb -0.16 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1ut1 s VAL 21 CO 0.00 -0.49 1.07 -0.13 0.00 0.00 0.00 175.10 175.56 1ut1 s ARG 22 N 1.09 4.51 -0.10 2.72 0.52 -1.26 -5.03 118.95 121.39 1ut1 s ARG 22 Ca 0.05 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 56.84 1ut1 s ARG 22 Cb -0.21 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 31.87 1ut1 s ARG 22 CO -0.05 -0.14 -0.12 0.08 0.02 0.00 0.00 175.30 175.10 1ut1 s VAL 23 N 1.03 1.24 0.00 3.52 1.01 -1.26 -5.07 120.40 120.87 1ut1 s VAL 23 Ca 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1ut1 s VAL 23 Cb -0.25 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1ut1 s VAL 23 CO 0.29 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1ut1 n GLY 24 N 4.45 -1.26 3.71 4.51 0.00 -1.26 -4.92 105.19 110.43 1ut1 n GLY 24 Ca -0.17 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 4.01 0.28 1.61 -0.00 -1.26 -4.91 116.67 112.40 1ut1 s ASP 25 Ca 0.00 2.39 -0.29 0.00 -0.00 0.00 0.00 52.55 54.65 1ut1 s ASP 25 Cb 0.00 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.23 1ut1 s ASP 25 CO 0.00 -2.39 1.25 -0.76 -0.00 0.00 0.00 175.17 173.28 1ut1 s LEU 26 N -5.27 4.46 0.24 1.23 1.43 -1.26 -5.02 118.68 114.49 1ut1 s LEU 26 Ca 0.75 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 56.36 1ut1 s LEU 26 Cb -0.30 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 1ut1 s LEU 26 CO 0.47 -0.43 0.12 0.42 0.23 0.00 0.00 176.35 177.15 1ut1 s THR 27 N -0.82 0.30 -0.22 5.49 -4.23 -1.26 -5.11 115.64 109.79 1ut1 s THR 27 Ca 0.50 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 1ut1 s THR 27 Cb -0.37 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1ut1 s THR 27 CO 0.46 0.00 1.53 -0.69 -0.54 0.00 0.00 174.62 175.38 1ut1 s VAL 28 N -3.91 3.81 0.03 2.29 1.01 -1.26 -4.99 120.40 117.38 1ut1 s VAL 28 Ca 0.38 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1ut1 s VAL 28 Cb 0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ut1 s VAL 28 CO 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 175.10 174.86 1ut1 s ALA 29 N 4.87 0.47 0.03 5.51 0.00 -1.26 -1.41 121.76 129.97 1ut1 s ALA 29 Ca 0.67 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ut1 s ALA 29 Cb -0.23 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ut1 s ALA 29 CO 0.27 -0.00 -0.06 0.15 0.00 0.00 0.00 175.76 176.12 1ut1 s LYS 30 N -1.13 0.43 0.53 0.00 1.02 -0.04 -4.94 119.74 115.61 1ut1 s LYS 30 Ca -0.07 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 1ut1 s LYS 30 Cb -0.08 -0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 37.03 1ut1 s LYS 30 CO 0.00 0.01 1.04 0.95 -0.92 0.00 0.00 175.35 176.43 1ut1 s THR 31 N -1.33 3.89 0.59 2.17 -4.23 -1.26 -1.11 115.64 114.35 1ut1 s THR 31 Ca -0.12 1.03 0.29 0.00 -1.18 0.00 0.00 61.69 61.72 1ut1 s THR 31 Cb -0.09 -3.45 0.35 0.00 1.34 0.00 0.00 72.50 70.64 1ut1 s THR 31 CO -0.00 -0.40 2.25 0.08 -0.54 0.00 0.00 174.62 176.01 1ut1 h ARG 32 N 1.04 0.00 -0.02 3.99 0.11 -1.14 0.18 114.38 118.54 1ut1 h ARG 32 Ca -0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 1ut1 h ARG 32 Cb 1.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1ut1 h ARG 32 CO 0.59 0.00 -0.16 0.78 0.10 0.00 0.00 179.97 181.28 1ut1 h GLY 33 N 0.01 0.03 0.83 0.08 0.00 -1.84 -1.56 103.07 100.62 1ut1 h GLY 33 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ut1 h GLY 33 CO 0.00 0.02 -0.01 -1.06 0.00 0.00 0.00 176.54 175.49 1ut1 n GLN 34 N -4.34 1.03 -1.59 4.80 6.02 0.05 -4.34 117.38 119.02 1ut1 n GLN 34 Ca -0.02 -0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.47 1ut1 n GLN 34 Cb 0.23 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.96 1ut1 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ut1 n LEU 35 N -0.85 7.73 -4.89 1.08 4.77 -0.59 -4.87 117.00 119.39 1ut1 n LEU 35 Ca 0.22 -4.41 -0.29 0.00 -0.03 0.00 0.00 56.01 51.50 1ut1 n LEU 35 Cb 0.17 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 1ut1 n LEU 35 CO 0.19 1.98 0.54 0.42 -1.33 0.00 0.00 177.39 179.19 1ut1 s THR 36 N -0.00 4.82 0.27 -5.08 -4.23 -1.26 0.20 115.64 110.35 1ut1 s THR 36 Ca 0.61 0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 61.30 1ut1 s THR 36 Cb 0.23 -3.86 -0.12 0.00 1.34 0.00 0.00 72.50 70.09 1ut1 s THR 36 CO -0.09 -0.93 1.61 -0.67 -0.54 0.00 0.00 174.62 174.00 1ut1 n ASP 37 N -2.35 3.77 0.00 3.99 -0.08 -1.26 -1.65 116.55 118.97 1ut1 n ASP 37 Ca 0.03 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1ut1 n ASP 37 Cb 0.55 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.44 1ut1 n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ut1 n ALA 38 N 2.58 0.00 -1.70 -1.67 0.00 0.50 -4.90 120.51 115.32 1ut1 n ALA 38 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1ut1 n ALA 38 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1ut1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut1 n ALA 39 N 1.00 2.31 -2.00 0.00 0.00 -0.66 -4.58 120.51 116.58 1ut1 n ALA 39 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1ut1 n ALA 39 Cb 0.05 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 1ut1 n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ut1 s PRO 40 N 1.30 4.55 -0.22 0.00 0.04 -1.26 -0.65 135.00 138.76 1ut1 s PRO 40 Ca 0.77 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.57 1ut1 s PRO 40 Cb -0.56 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.56 1ut1 s PRO 40 CO 0.35 0.02 -0.06 -0.89 0.04 0.00 0.00 177.00 176.45 1ut1 n ILE 41 N 2.21 1.58 0.00 0.56 2.08 0.80 -4.90 119.36 121.68 1ut1 n ILE 41 Ca 0.03 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1ut1 n ILE 41 Cb 0.45 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 1ut1 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ut1 n GLY 42 N 1.91 0.48 3.92 7.39 0.00 -1.14 -5.00 105.19 112.76 1ut1 n GLY 42 Ca -0.43 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 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 3.55 -0.13 1.61 0.04 -1.26 -0.81 135.00 136.00 1ut1 s PRO 43 Ca 0.00 -0.15 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 1ut1 s PRO 43 Cb 0.00 -2.65 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1ut1 s PRO 43 CO 0.00 0.18 -0.02 0.08 0.04 0.00 0.00 177.00 177.28 1ut1 s VAL 44 N -2.20 0.73 0.21 -0.36 1.01 0.13 -4.96 120.40 114.96 1ut1 s VAL 44 Ca 0.42 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1ut1 s VAL 44 Cb -0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1ut1 s VAL 44 CO 0.33 0.13 0.95 -0.89 0.00 0.00 0.00 175.10 175.63 1ut1 s THR 45 N 1.80 4.16 -0.06 3.92 2.01 -1.26 -0.36 115.64 125.86 1ut1 s THR 45 Ca 0.02 2.07 0.00 0.00 0.31 0.00 0.00 61.69 64.10 1ut1 s THR 45 Cb -0.14 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.07 1ut1 s THR 45 CO -0.07 0.45 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.58 1ut1 s VAL 46 N -0.88 0.58 -0.12 3.82 1.01 -0.45 -4.94 120.40 119.42 1ut1 s VAL 46 Ca 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1ut1 s VAL 46 Cb -0.25 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1ut1 s VAL 46 CO 0.32 0.25 0.04 -1.58 0.00 0.00 0.00 175.10 174.13 1ut1 s GLN 47 N 1.20 0.39 0.08 2.72 2.00 -1.26 -1.07 119.66 123.72 1ut1 s GLN 47 Ca -0.06 -0.03 -0.05 0.00 -2.00 0.00 0.00 55.36 53.22 1ut1 s GLN 47 Cb -0.14 -1.38 -0.05 0.00 0.80 0.00 0.00 33.01 32.24 1ut1 s GLN 47 CO -0.02 -0.48 0.31 0.00 -0.50 0.00 0.00 175.29 174.60 1ut1 s ALA 48 N 2.01 3.85 -0.02 1.58 0.00 -0.02 -5.01 121.76 124.15 1ut1 s ALA 48 Ca 0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1ut1 s ALA 48 Cb -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1ut1 s ALA 48 CO -0.06 0.69 0.09 -0.51 0.00 0.00 0.00 175.76 175.97 1ut1 s LEU 49 N -2.28 1.67 -0.16 0.00 1.43 -1.26 -4.49 118.68 113.59 1ut1 s LEU 49 Ca 0.35 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1ut1 s LEU 49 Cb -0.13 0.38 0.00 0.00 0.03 0.00 0.00 46.19 46.47 1ut1 s LEU 49 CO 0.22 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ut1 n GLY 50 N 2.58 0.52 1.24 -3.19 0.00 -1.26 -4.93 105.19 100.16 1ut1 n GLY 50 Ca -0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 1.03 0.00 -0.35 0.00 3.45 -1.92 -2.06 116.42 116.57 1ut1 h ASP 52 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1ut1 h ASP 52 Cb 1.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.52 1ut1 h ASP 52 CO 0.44 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.11 1ut1 n ALA 53 N -2.56 2.73 -2.30 3.45 0.00 -1.26 -3.35 120.51 117.22 1ut1 n ALA 53 Ca 0.03 -1.78 -0.16 0.00 0.00 0.00 0.00 53.44 51.52 1ut1 n ALA 53 Cb 0.32 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.03 1.18 -0.32 0.00 1.81 -0.82 -4.91 118.95 113.86 1ut1 s ARG 54 Ca 0.37 -1.51 -0.19 0.00 -1.72 0.00 0.00 55.73 52.68 1ut1 s ARG 54 Cb 0.26 -0.86 -0.01 0.00 -0.45 0.00 0.00 34.95 33.89 1ut1 s ARG 54 CO 0.13 0.13 0.55 -0.65 -0.68 0.00 0.00 175.30 174.79 1ut1 s GLN 55 N -3.67 3.79 0.40 3.54 -0.21 -1.25 -1.14 119.66 121.12 1ut1 s GLN 55 Ca 0.19 0.07 -0.27 0.00 0.02 0.00 0.00 55.36 55.37 1ut1 s GLN 55 Cb 0.01 -3.76 -0.10 0.00 1.00 0.00 0.00 33.01 30.16 1ut1 s GLN 55 CO 0.03 -0.58 1.46 0.08 -2.12 0.00 0.00 175.29 174.17 1ut1 s VAL 56 N 2.47 2.09 0.05 1.09 1.01 -1.26 -0.54 120.40 125.30 1ut1 s VAL 56 Ca 0.21 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1ut1 s VAL 56 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1ut1 s VAL 56 CO 0.12 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.39 1ut1 s ALA 57 N -1.15 -0.18 -0.08 5.51 0.00 0.20 -0.83 121.76 125.24 1ut1 s ALA 57 Ca 0.55 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1ut1 s ALA 57 Cb -0.45 0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1ut1 s ALA 57 CO 0.61 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 175.33 1ut1 s LEU 58 N -2.32 1.73 -0.18 0.00 1.43 0.05 -1.63 118.68 117.76 1ut1 s LEU 58 Ca -0.02 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1ut1 s LEU 58 Cb 0.01 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1ut1 s LEU 58 CO -0.06 0.05 -0.03 -0.75 0.23 0.00 0.00 176.35 175.79 1ut1 s LYS 59 N 0.65 3.58 0.46 1.70 2.20 0.06 -0.50 119.74 127.89 1ut1 s LYS 59 Ca -0.14 -0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 54.70 1ut1 s LYS 59 Cb -0.16 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 1ut1 s LYS 59 CO 0.04 0.07 1.03 0.00 -0.36 0.00 0.00 175.35 176.13 1ut1 s ALA 60 N 0.81 2.95 0.66 3.13 0.00 0.23 -0.83 121.76 128.71 1ut1 s ALA 60 Ca -0.01 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1ut1 s ALA 60 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ut1 s ALA 60 CO 0.02 -0.24 1.06 -0.25 0.00 0.00 0.00 175.76 176.36 1ut1 n ASP 61 N -0.69 1.06 -0.34 0.00 9.92 -0.51 -4.85 116.55 121.15 1ut1 n ASP 61 Ca 0.08 0.77 0.19 0.00 -0.53 0.00 0.00 54.79 55.29 1ut1 n ASP 61 Cb 0.52 -1.45 0.40 0.00 -0.64 0.00 0.00 41.12 39.96 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 0.24 0.48 0.00 -3.53 2.02 -1.94 0.13 112.91 110.32 1ut1 h THR 62 Ca -0.49 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1ut1 h THR 62 Cb 1.35 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ut1 h THR 62 CO 0.50 0.10 0.00 0.47 0.37 0.00 0.00 175.52 176.96 1ut1 n ASP 63 N -4.92 0.00 -0.82 4.18 8.00 -1.26 -3.36 116.55 118.36 1ut1 n ASP 63 Ca 0.28 -0.28 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1ut1 n ASP 63 Cb 0.80 -0.17 0.17 0.00 -0.02 0.00 0.00 41.12 41.89 1ut1 n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ut1 n ASN 64 N -1.17 2.99 -3.82 -2.24 3.02 0.47 -4.72 115.26 109.78 1ut1 n ASN 64 Ca 0.13 -1.88 -0.12 0.00 -0.03 0.00 0.00 54.58 52.67 1ut1 n ASN 64 Cb 0.13 -0.22 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 1ut1 n ASN 64 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ut1 s PHE 65 N -1.11 -0.04 -0.19 3.10 5.36 -1.21 -1.49 117.98 122.40 1ut1 s PHE 65 Ca 0.28 -0.00 -0.27 0.00 -0.96 0.00 0.00 56.93 55.98 1ut1 s PHE 65 Cb 0.16 0.01 0.07 0.00 -0.34 0.00 0.00 43.02 42.92 1ut1 s PHE 65 CO 0.22 -0.35 0.72 -1.21 -1.46 0.00 0.00 175.22 173.14 1ut1 s GLU 66 N -1.54 0.90 -1.65 10.12 0.41 -0.04 -4.99 118.70 121.91 1ut1 s GLU 66 Ca -0.13 0.70 -0.11 0.00 -0.41 0.00 0.00 54.97 55.02 1ut1 s GLU 66 Cb -0.06 0.44 0.10 0.00 -1.78 0.00 0.00 34.13 32.83 1ut1 s GLU 66 CO 0.02 -0.19 0.40 0.94 -0.49 0.00 0.00 175.26 175.95 1ut1 n GLN 67 N 1.98 -1.73 -0.94 1.61 0.00 -1.26 0.13 117.38 117.17 1ut1 n GLN 67 Ca -0.16 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 1ut1 n GLN 67 Cb 0.56 -4.38 0.00 0.00 0.00 0.00 0.00 30.24 26.42 1ut1 n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ut1 n GLY 68 N -1.81 0.51 3.65 1.69 0.00 -1.26 -5.01 105.19 102.96 1ut1 n GLY 68 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1ut1 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ut1 s LYS 69 N -0.45 3.19 0.13 1.61 1.02 0.34 -5.03 119.74 120.55 1ut1 s LYS 69 Ca 0.00 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1ut1 s LYS 69 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1ut1 s LYS 69 CO 0.00 0.59 0.10 -0.06 -0.92 0.00 0.00 175.35 175.06 1ut1 s PHE 70 N -0.57 3.14 -0.11 3.18 0.40 -1.26 -0.86 117.98 121.90 1ut1 s PHE 70 Ca 0.10 0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 1ut1 s PHE 70 Cb -0.12 -1.55 0.08 0.00 0.51 0.00 0.00 43.02 41.94 1ut1 s PHE 70 CO 0.02 0.52 0.73 -0.59 0.70 0.00 0.00 175.22 176.60 1ut1 s PHE 71 N -1.58 -0.65 0.49 0.36 -0.12 -0.55 -1.47 117.98 114.45 1ut1 s PHE 71 Ca 0.30 1.24 -0.21 0.00 -0.05 0.00 0.00 56.93 58.22 1ut1 s PHE 71 Cb -0.11 0.38 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 1ut1 s PHE 71 CO 0.22 -0.53 1.08 -0.51 -0.05 0.00 0.00 175.22 175.43 1ut1 s LEU 72 N -0.83 3.85 0.01 -1.99 1.02 -0.11 -4.55 118.68 116.08 1ut1 s LEU 72 Ca -0.08 2.04 0.08 0.00 0.02 0.00 0.00 54.13 56.20 1ut1 s LEU 72 Cb -0.01 -4.51 -0.02 0.00 0.02 0.00 0.00 46.19 41.66 1ut1 s LEU 72 CO 0.07 -0.90 -0.25 -0.51 0.02 0.00 0.00 176.35 174.78 1ut1 s ILE 73 N -1.85 2.02 0.98 -0.59 1.10 -0.34 -1.06 121.20 121.46 1ut1 s ILE 73 Ca 0.68 -1.21 -0.12 0.00 -0.51 0.00 0.00 60.65 59.49 1ut1 s ILE 73 Cb -0.20 -1.70 0.18 0.00 0.15 0.00 0.00 42.46 40.89 1ut1 s ILE 73 CO 0.24 0.45 1.08 -0.94 -2.11 0.00 0.00 174.94 173.66 1ut1 s SER 74 N -0.91 2.58 0.42 4.50 1.04 -0.01 -1.41 113.70 119.91 1ut1 s SER 74 Ca 0.10 1.61 0.08 0.00 0.48 0.00 0.00 55.95 58.22 1ut1 s SER 74 Cb -0.10 -2.26 0.91 0.00 0.10 0.00 0.00 66.02 64.67 1ut1 s SER 74 CO 0.01 -3.22 2.06 0.44 0.98 0.00 0.00 173.24 173.51 1ut1 h ASP 75 N -1.95 0.42 -0.09 7.02 3.32 -1.64 -1.03 116.42 122.48 1ut1 h ASP 75 Ca -0.52 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1ut1 h ASP 75 Cb 1.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ut1 h ASP 75 CO 0.51 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.87 1ut1 n ASN 76 N -4.48 0.77 -0.44 6.45 2.04 -1.26 -4.92 115.26 113.41 1ut1 n ASN 76 Ca 0.03 -1.63 -0.06 0.00 -0.44 0.00 0.00 54.58 52.49 1ut1 n ASN 76 Cb 0.09 -0.06 -0.02 0.00 -2.53 0.00 0.00 39.78 37.26 1ut1 n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ut1 n ASN 77 N -0.24 -4.26 -0.09 0.53 4.05 -0.39 -4.91 115.26 109.95 1ut1 n ASN 77 Ca 0.13 0.14 -0.15 0.00 0.45 0.00 0.00 54.58 55.16 1ut1 n ASN 77 Cb 0.18 -2.27 -0.08 0.00 1.23 0.00 0.00 39.78 38.83 1ut1 n ASN 77 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ut1 n ARG 78 N -2.08 0.45 -3.96 1.20 1.74 -1.26 -4.91 116.66 107.83 1ut1 n ARG 78 Ca -0.06 0.13 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1ut1 n ARG 78 Cb 0.28 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 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 -6.03 5.92 0.04 0.55 1.01 -1.26 -4.96 116.67 111.94 1ut1 s ASP 79 Ca -0.25 0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.27 1ut1 s ASP 79 Cb 0.07 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 1ut1 s ASP 79 CO 0.40 0.27 -0.01 -0.54 0.21 0.00 0.00 175.17 175.51 1ut1 s LYS 80 N -0.23 2.66 -0.33 8.23 1.02 -1.26 -0.83 119.74 129.00 1ut1 s LYS 80 Ca 0.09 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.38 1ut1 s LYS 80 Cb -0.12 -2.59 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 1ut1 s LYS 80 CO 0.01 0.58 0.07 -1.17 -0.92 0.00 0.00 175.35 173.93 1ut1 s LEU 81 N -1.88 3.74 0.30 3.17 2.96 -0.23 -4.97 118.68 121.76 1ut1 s LEU 81 Ca 0.22 -1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 51.87 1ut1 s LEU 81 Cb -0.12 -1.32 -0.11 0.00 0.50 0.00 0.00 46.19 45.15 1ut1 s LEU 81 CO 0.14 -0.39 1.46 -0.31 -1.32 0.00 0.00 176.35 175.93 1ut1 s TYR 82 N 1.17 2.88 0.10 5.38 1.51 -1.26 -0.93 117.35 126.20 1ut1 s TYR 82 Ca 0.11 1.06 0.03 0.00 -1.01 0.00 0.00 57.07 57.26 1ut1 s TYR 82 Cb -0.18 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 37.74 1ut1 s TYR 82 CO -0.15 -2.81 -0.09 0.14 -1.11 0.00 0.00 175.55 171.53 1ut1 s VAL 83 N -0.39 0.92 -0.11 0.71 -7.23 -0.54 -1.04 120.40 112.72 1ut1 s VAL 83 Ca 0.57 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1ut1 s VAL 83 Cb -0.44 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1ut1 s VAL 83 CO 0.49 -0.62 0.10 0.20 -0.31 0.00 0.00 175.10 174.96 1ut1 s ASN 84 N -2.60 6.03 -0.21 4.85 0.01 0.61 -4.35 114.94 119.28 1ut1 s ASN 84 Ca 0.07 0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 52.57 1ut1 s ASN 84 Cb -0.01 -1.88 0.01 0.00 0.41 0.00 0.00 41.25 39.78 1ut1 s ASN 84 CO -0.01 0.40 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.24 1ut1 s ILE 85 N -1.00 2.73 -0.06 0.60 1.01 -1.26 -1.28 121.20 121.94 1ut1 s ILE 85 Ca 0.15 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1ut1 s ILE 85 Cb -0.12 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1ut1 s ILE 85 CO 0.04 0.42 0.12 -0.60 0.00 0.00 0.00 174.94 174.92 1ut1 s ARG 86 N 1.37 0.05 0.58 2.79 3.52 -0.63 -4.97 118.95 121.65 1ut1 s ARG 86 Ca 0.04 0.37 -0.19 0.00 -0.13 0.00 0.00 55.73 55.82 1ut1 s ARG 86 Cb -0.14 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 1ut1 s ARG 86 CO -0.07 -0.20 1.16 -1.25 -0.81 0.00 0.00 175.30 174.13 1ut1 s PRO 87 N 1.38 3.12 0.00 5.12 0.04 -1.26 -0.42 135.00 142.98 1ut1 s PRO 87 Ca -0.06 1.68 0.28 0.00 0.04 0.00 0.00 61.00 62.94 1ut1 s PRO 87 Cb -0.12 -1.96 0.99 0.00 0.04 0.00 0.00 34.50 33.45 1ut1 s PRO 87 CO -0.05 -1.06 1.76 0.25 0.04 0.00 0.00 177.00 177.94 1ut1 n THR 88 N -1.56 0.00 0.39 1.26 -2.24 -0.02 -3.25 114.28 108.86 1ut1 n THR 88 Ca 0.12 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1ut1 n THR 88 Cb 0.50 -0.24 0.25 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.49 3.18 -2.03 3.42 3.85 -1.26 -4.95 116.55 117.28 1ut1 n ASP 89 Ca 0.07 -1.95 -0.19 0.00 -0.71 0.00 0.00 54.79 52.01 1ut1 n ASP 89 Cb 0.34 -0.26 -0.04 0.00 -1.35 0.00 0.00 41.12 39.80 1ut1 n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1ut1 n ASN 90 N 1.29 -5.15 -4.70 -1.12 4.05 -1.20 -4.98 115.26 103.45 1ut1 n ASN 90 Ca 0.19 0.23 -0.30 0.00 0.45 0.00 0.00 54.58 55.15 1ut1 n ASN 90 Cb 0.55 -4.43 0.15 0.00 1.23 0.00 0.00 39.78 37.27 1ut1 n ASN 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1ut1 s SER 91 N -2.28 3.31 -0.09 1.20 1.04 -1.26 -5.00 113.70 110.62 1ut1 s SER 91 Ca 0.00 1.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 1ut1 s SER 91 Cb 0.00 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1ut1 s SER 91 CO 0.00 -2.76 0.40 0.00 0.98 0.00 0.00 173.24 171.86 1ut1 s ALA 92 N -2.86 3.59 0.14 5.32 0.00 -1.26 -4.87 121.76 121.81 1ut1 s ALA 92 Ca 0.64 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1ut1 s ALA 92 Cb -0.19 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1ut1 s ALA 92 CO 0.58 0.19 -0.03 -1.58 0.00 0.00 0.00 175.76 174.92 1ut1 s TRP 93 N 0.01 1.05 0.03 0.00 0.52 -1.26 -1.15 118.94 118.13 1ut1 s TRP 93 Ca 0.22 -0.98 0.06 0.00 0.02 0.00 0.00 56.10 55.42 1ut1 s TRP 93 Cb -0.15 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1ut1 s TRP 93 CO 0.09 -0.19 -0.17 0.99 0.02 0.00 0.00 176.95 177.69 1ut1 s THR 94 N -3.66 1.34 -0.14 2.01 2.01 0.58 -4.87 115.64 112.92 1ut1 s THR 94 Ca 0.18 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 1ut1 s THR 94 Cb 0.06 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1ut1 s THR 94 CO -0.00 0.14 0.04 -0.89 -0.69 0.00 0.00 174.62 173.22 1ut1 s THR 95 N -0.75 4.64 -0.28 -0.82 2.01 -1.26 -0.57 115.64 118.62 1ut1 s THR 95 Ca 0.05 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1ut1 s THR 95 Cb -0.08 -3.03 0.13 0.00 0.01 0.00 0.00 72.50 69.53 1ut1 s THR 95 CO 0.01 0.54 0.29 -0.62 -0.69 0.00 0.00 174.62 174.15 1ut1 s ASP 96 N -0.25 1.56 -1.25 3.53 3.68 0.07 -4.97 116.67 119.04 1ut1 s ASP 96 Ca 0.07 -0.64 -0.12 0.00 2.13 0.00 0.00 52.55 53.99 1ut1 s ASP 96 Cb -0.12 0.53 -0.00 0.00 -1.45 0.00 0.00 42.92 41.88 1ut1 s ASP 96 CO 0.02 -0.38 0.65 -3.20 0.13 0.00 0.00 175.17 172.39 1ut1 n ASN 97 N 5.32 -3.11 0.00 -0.34 5.15 -1.26 -1.66 115.26 119.35 1ut1 n ASN 97 Ca -0.03 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1ut1 n ASN 97 Cb 0.47 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 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 -1.79 1.14 3.53 8.20 0.00 -1.26 -4.99 105.19 110.02 1ut1 n GLY 98 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.47 4.02 -0.35 1.61 1.01 -0.67 -0.60 120.40 121.95 1ut1 s VAL 99 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1ut1 s VAL 99 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1ut1 s VAL 99 CO 0.00 0.50 0.11 0.12 0.00 0.00 0.00 175.10 175.84 1ut1 s PHE 100 N 0.23 3.33 0.15 5.22 5.36 0.34 -0.75 117.98 131.87 1ut1 s PHE 100 Ca -0.02 -1.76 0.10 0.00 -0.96 0.00 0.00 56.93 54.30 1ut1 s PHE 100 Cb -0.14 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 1ut1 s PHE 100 CO 0.03 -0.81 -0.23 1.52 -1.46 0.00 0.00 175.22 174.26 1ut1 s TYR 101 N 1.31 2.13 0.18 10.12 1.13 0.27 -0.77 117.35 131.72 1ut1 s TYR 101 Ca -0.00 -0.39 -0.28 0.00 -1.41 0.00 0.00 57.07 54.98 1ut1 s TYR 101 Cb -0.21 -1.11 -0.08 0.00 -1.10 0.00 0.00 41.96 39.47 1ut1 s TYR 101 CO 0.00 0.37 0.89 0.21 -2.51 0.00 0.00 175.55 174.51 1ut1 s LYS 102 N -2.35 4.72 0.50 -3.49 2.20 -0.01 -0.30 119.74 121.01 1ut1 s LYS 102 Ca 0.15 1.36 0.27 0.00 -0.36 0.00 0.00 55.97 57.39 1ut1 s LYS 102 Cb -0.09 -3.30 1.27 0.00 -1.51 0.00 0.00 37.83 34.21 1ut1 s LYS 102 CO 0.07 0.46 1.98 -0.91 -0.36 0.00 0.00 175.35 176.59 1ut1 h ASN 103 N 4.57 0.00 -2.58 1.43 -0.26 -1.47 -3.43 115.58 113.83 1ut1 h ASN 103 Ca -0.45 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 54.72 1ut1 h ASN 103 Cb 1.20 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.37 1ut1 h ASN 103 CO 0.68 0.15 -0.62 -0.62 -1.06 0.00 0.00 177.43 175.96 1ut1 s ASP 104 N -6.12 4.91 0.73 5.81 3.68 -1.26 -5.07 116.67 119.35 1ut1 s ASP 104 Ca -0.01 -0.41 -0.11 0.00 2.13 0.00 0.00 52.55 54.15 1ut1 s ASP 104 Cb 0.12 -1.08 0.03 0.00 -1.45 0.00 0.00 42.92 40.54 1ut1 s ASP 104 CO 0.60 0.05 1.08 0.68 0.13 0.00 0.00 175.17 177.71 1ut1 s VAL 105 N -1.94 3.56 0.00 1.11 -7.23 -1.26 -4.47 120.40 110.17 1ut1 s VAL 105 Ca 0.30 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1ut1 s VAL 105 Cb -0.08 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.51 1ut1 s VAL 105 CO 0.20 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1ut1 n GLY 106 N -2.41 4.21 3.09 2.32 0.00 -0.29 -4.93 105.19 107.18 1ut1 n GLY 106 Ca 0.07 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 4.60 -4.77 1.61 7.64 -1.19 -4.43 113.62 117.08 1ut1 n SER 107 Ca 0.00 -2.94 -0.41 0.00 1.01 0.00 0.00 58.87 56.53 1ut1 n SER 107 Cb 0.00 -1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 61.55 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 2.64 3.03 -0.09 1.43 -0.00 -1.26 -4.61 118.94 120.08 1ut1 s TRP 108 Ca 0.47 1.36 0.04 0.00 -0.00 0.00 0.00 56.10 57.97 1ut1 s TRP 108 Cb 0.08 -3.71 -0.01 0.00 -0.00 0.00 0.00 33.47 29.84 1ut1 s TRP 108 CO -0.01 -1.98 -0.23 0.20 -0.00 0.00 0.00 176.95 174.92 1ut1 s GLY 109 N -0.37 1.34 0.00 5.86 0.00 -1.26 -0.84 107.32 112.05 1ut1 s GLY 109 Ca 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1ut1 s GLY 109 CO 0.52 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1ut1 n GLY 110 N 3.31 1.04 3.00 0.20 0.00 -0.23 -5.02 105.19 107.49 1ut1 n GLY 110 Ca -0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.37 1.06 -0.23 -0.61 1.01 -1.26 -1.34 121.20 117.46 1ut1 s ILE 111 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1ut1 s ILE 111 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1ut1 s ILE 111 CO 0.00 0.34 0.10 -0.63 0.00 0.00 0.00 174.94 174.75 1ut1 s ILE 112 N 0.81 4.83 0.03 2.92 -1.09 0.52 -0.84 121.20 128.38 1ut1 s ILE 112 Ca -0.12 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 1ut1 s ILE 112 Cb -0.15 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.44 1ut1 s ILE 112 CO 0.02 0.37 0.38 -0.83 -1.23 0.00 0.00 174.94 173.65 1ut1 s GLY 113 N 1.09 2.37 -0.19 6.18 0.00 0.44 0.22 107.32 117.42 1ut1 s GLY 113 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 1ut1 s GLY 113 CO 0.04 -0.08 -0.11 -0.42 0.00 0.00 0.00 173.10 172.53 1ut1 s ILE 114 N -1.26 2.88 0.05 0.90 -1.09 0.01 -1.61 121.20 121.08 1ut1 s ILE 114 Ca 0.28 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 58.09 1ut1 s ILE 114 Cb -0.15 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1ut1 s ILE 114 CO 0.15 0.48 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.88 1ut1 s TYR 115 N 1.26 1.32 0.17 3.97 2.02 -0.41 -0.14 117.35 125.54 1ut1 s TYR 115 Ca 0.03 -0.38 -0.32 0.00 -0.37 0.00 0.00 57.07 56.03 1ut1 s TYR 115 Cb -0.14 -0.77 -0.11 0.00 -0.40 0.00 0.00 41.96 40.54 1ut1 s TYR 115 CO -0.05 0.06 1.73 0.08 -1.57 0.00 0.00 175.55 175.79 1ut1 s VAL 116 N -0.95 2.29 -0.57 0.71 1.01 0.18 -0.28 120.40 122.79 1ut1 s VAL 116 Ca 0.02 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1ut1 s VAL 116 Cb -0.09 -3.07 0.14 0.00 0.00 0.00 0.00 36.38 33.37 1ut1 s VAL 116 CO 0.02 0.01 0.49 -0.62 0.00 0.00 0.00 175.10 175.00 1ut1 s ASP 117 N 1.64 6.10 0.00 3.32 2.15 -0.21 -0.37 116.67 129.30 1ut1 s ASP 117 Ca 0.76 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 51.74 1ut1 s ASP 117 Cb -0.47 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ut1 s ASP 117 CO 0.33 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.19 1ut1 n GLY 118 N 4.90 -0.40 3.66 2.66 0.00 -1.26 -4.74 105.19 110.01 1ut1 n GLY 118 Ca -0.07 -1.18 -0.47 0.00 0.00 0.00 0.00 46.02 44.30 1ut1 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ut1 n GLN 119 N 1.62 2.05 -2.40 1.61 -0.00 -1.26 -4.34 117.38 114.65 1ut1 n GLN 119 Ca 0.00 0.74 -0.14 0.00 -0.00 0.00 0.00 57.00 57.60 1ut1 n GLN 119 Cb 0.00 -2.51 0.03 0.00 -0.00 0.00 0.00 30.24 27.76 1ut1 n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1ut1 n GLN 120 N 3.93 2.74 0.00 2.61 6.02 0.52 -4.83 117.38 128.37 1ut1 n GLN 120 Ca 0.18 -3.88 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 1ut1 n GLN 120 Cb 0.28 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.63 0.00 -0.05 5.09 -2.24 -1.20 -1.54 114.28 113.71 1ut1 n THR 121 Ca 0.27 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.08 1ut1 n THR 121 Cb 0.88 -0.68 0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.60 2.33 -4.77 3.42 5.03 -1.26 -4.27 115.26 115.13 1ut1 n ASN 122 Ca 0.00 -1.93 -0.41 0.00 0.87 0.00 0.00 54.58 53.11 1ut1 n ASN 122 Cb 0.00 -0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1ut1 n ASN 122 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ut1 s THR 123 N -0.95 2.07 0.31 3.41 2.01 -0.59 -4.95 115.64 116.95 1ut1 s THR 123 Ca 0.10 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1ut1 s THR 123 Cb 0.05 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.43 1ut1 s THR 123 CO 0.07 0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 172.98 1ut1 s PRO 124 N -1.77 4.50 0.40 4.92 0.04 -1.26 -4.82 135.00 137.02 1ut1 s PRO 124 Ca 0.55 1.82 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 1ut1 s PRO 124 Cb -0.47 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 1ut1 s PRO 124 CO 0.60 0.08 1.20 -2.30 0.04 0.00 0.00 177.00 176.62 1ut1 n PRO 125 N 0.90 1.80 -3.83 0.56 -0.02 -1.26 -4.86 135.00 128.30 1ut1 n PRO 125 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1ut1 n PRO 125 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.91 -2.11 3.54 -1.23 0.00 -0.40 -4.96 105.19 100.93 1ut1 n GLY 126 Ca 0.07 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1ut1 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ut1 s ASN 127 N -1.65 5.19 0.06 1.61 0.01 -1.26 -1.00 114.94 117.90 1ut1 s ASN 127 Ca 0.00 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.18 1ut1 s ASN 127 Cb 0.00 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 1ut1 s ASN 127 CO 0.00 0.13 -0.26 -0.31 -1.51 0.00 0.00 177.10 175.16 1ut1 s TYR 128 N 0.59 2.34 -0.02 2.20 2.02 0.23 -1.55 117.35 123.17 1ut1 s TYR 128 Ca 0.01 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1ut1 s TYR 128 Cb -0.14 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1ut1 s TYR 128 CO 0.02 0.16 0.07 0.99 -1.57 0.00 0.00 175.55 175.22 1ut1 s THR 129 N -0.85 0.02 -0.09 -0.71 2.01 -0.50 -1.34 115.64 114.18 1ut1 s THR 129 Ca 0.12 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1ut1 s THR 129 Cb -0.10 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.27 1ut1 s THR 129 CO 0.03 -0.10 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.56 1ut1 s LEU 130 N -0.28 1.33 -0.15 4.42 2.96 0.30 -1.20 118.68 126.07 1ut1 s LEU 130 Ca -0.03 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1ut1 s LEU 130 Cb -0.02 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.90 1ut1 s LEU 130 CO 0.00 -0.06 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.90 1ut1 s THR 131 N 1.25 2.45 -0.06 3.68 2.01 -1.26 -0.21 115.64 123.51 1ut1 s THR 131 Ca -0.04 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1ut1 s THR 131 Cb -0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1ut1 s THR 131 CO -0.03 0.53 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.47 1ut1 s LEU 132 N 0.77 1.97 -0.10 4.42 1.43 -0.20 -1.42 118.68 125.55 1ut1 s LEU 132 Ca -0.07 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1ut1 s LEU 132 Cb -0.16 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1ut1 s LEU 132 CO 0.00 0.17 -0.20 -0.89 0.23 0.00 0.00 176.35 175.66 1ut1 s THR 133 N 0.06 2.40 0.45 5.49 2.01 -0.01 -0.61 115.64 125.43 1ut1 s THR 133 Ca -0.07 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 1ut1 s THR 133 Cb -0.13 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.34 1ut1 s THR 133 CO 0.04 0.55 0.99 -0.83 -0.69 0.00 0.00 174.62 174.68 1ut1 s GLY 134 N 0.20 2.47 0.00 4.40 0.00 -0.12 -0.76 107.32 113.51 1ut1 s GLY 134 Ca -0.12 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1ut1 s GLY 134 CO 0.07 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1ut1 n GLY 135 N -0.38 -0.63 3.17 0.20 0.00 -0.64 -1.38 105.19 105.53 1ut1 n GLY 135 Ca 0.08 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.38 0.91 -0.17 1.61 1.13 -0.44 -0.63 117.35 116.39 1ut1 s TYR 136 Ca 0.00 -1.11 -0.06 0.00 -1.41 0.00 0.00 57.07 54.48 1ut1 s TYR 136 Cb 0.00 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.29 1ut1 s TYR 136 CO 0.00 -0.37 0.04 -0.46 -2.51 0.00 0.00 175.55 172.25 1ut1 s TRP 137 N -3.87 3.22 0.00 -3.49 -0.11 0.30 -0.55 118.94 114.44 1ut1 s TRP 137 Ca 0.20 0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.55 1ut1 s TRP 137 Cb 0.07 -2.03 0.00 0.00 -1.50 0.00 0.00 33.47 30.01 1ut1 s TRP 137 CO -0.00 0.16 0.00 0.00 -4.62 0.00 0.00 176.95 172.49