#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 0.70 -0.18 1.61 1.04 0.43 -4.93 113.70 112.37 1ut1 s SER 1 Ca 0.00 -0.60 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 1ut1 s SER 1 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1ut1 s SER 1 CO 0.00 -0.27 0.09 0.12 0.98 0.00 0.00 173.24 174.16 1ut1 s PHE 2 N -1.72 3.33 -0.32 5.02 2.19 -1.26 -1.51 117.98 123.71 1ut1 s PHE 2 Ca -0.09 0.20 -0.08 0.00 0.33 0.00 0.00 56.93 57.29 1ut1 s PHE 2 Cb -0.08 -2.09 0.02 0.00 -1.31 0.00 0.00 43.02 39.56 1ut1 s PHE 2 CO -0.01 0.25 0.12 0.99 1.83 0.00 0.00 175.22 178.41 1ut1 s THR 3 N 0.23 4.17 0.09 0.12 2.01 0.22 -4.98 115.64 117.51 1ut1 s THR 3 Ca 0.06 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 1ut1 s THR 3 Cb -0.12 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1ut1 s THR 3 CO -0.00 -0.03 1.59 -2.84 -0.69 0.00 0.00 174.62 172.64 1ut1 s PRO 4 N 1.51 4.22 -0.41 4.92 0.02 -1.26 -1.64 135.00 142.36 1ut1 s PRO 4 Ca 0.02 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.33 1ut1 s PRO 4 Cb -0.18 -3.48 0.19 0.00 0.02 0.00 0.00 34.50 31.06 1ut1 s PRO 4 CO 0.04 -0.67 0.85 0.45 -0.33 0.00 0.00 177.00 177.34 1ut1 s SER 5 N 2.00 -0.98 0.00 2.53 0.15 -0.54 -4.93 113.70 111.92 1ut1 s SER 5 Ca 0.71 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1ut1 s SER 5 Cb -0.40 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1ut1 s SER 5 CO 0.31 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ut1 n GLY 6 N 3.41 -0.96 3.98 9.45 0.00 -1.17 -3.60 105.19 116.30 1ut1 n GLY 6 Ca 0.12 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.96 1.89 -0.10 2.61 -4.23 -1.26 -4.65 115.64 106.94 1ut1 s THR 7 Ca 0.00 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1ut1 s THR 7 Cb 0.00 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1ut1 s THR 7 CO 0.00 0.00 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.97 1ut1 s THR 8 N -2.73 2.27 -0.14 3.99 2.01 -1.26 -1.07 115.64 118.72 1ut1 s THR 8 Ca 0.50 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 1ut1 s THR 8 Cb -0.04 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1ut1 s THR 8 CO 0.32 0.56 -0.01 -0.83 -0.69 0.00 0.00 174.62 173.97 1ut1 s GLY 9 N 0.23 1.79 -0.19 4.40 0.00 0.81 -4.96 107.32 109.40 1ut1 s GLY 9 Ca -0.14 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 1ut1 s GLY 9 CO 0.07 -0.20 -0.15 -1.08 0.00 0.00 0.00 173.10 171.74 1ut1 s THR 10 N -0.02 2.52 -0.26 0.90 -1.32 -1.26 -0.69 115.64 115.50 1ut1 s THR 10 Ca 0.03 -0.79 -0.09 0.00 -1.21 0.00 0.00 61.69 59.62 1ut1 s THR 10 Cb -0.13 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 1ut1 s THR 10 CO 0.02 0.50 0.13 -0.89 -2.21 0.00 0.00 174.62 172.18 1ut1 s THR 11 N 1.28 4.88 0.10 5.08 2.01 0.49 -4.96 115.64 124.51 1ut1 s THR 11 Ca 0.04 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.16 1ut1 s THR 11 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1ut1 s THR 11 CO -0.08 0.30 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.34 1ut1 s LYS 12 N 1.62 1.51 -0.15 4.92 1.02 -1.26 -0.61 119.74 126.78 1ut1 s LYS 12 Ca 0.07 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 1ut1 s LYS 12 Cb -0.15 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1ut1 s LYS 12 CO 0.07 0.46 0.38 -1.17 -0.92 0.00 0.00 175.35 174.17 1ut1 s LEU 13 N -1.75 0.10 -0.23 3.17 2.96 -0.31 -4.79 118.68 117.83 1ut1 s LEU 13 Ca 0.13 0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 54.75 1ut1 s LEU 13 Cb -0.10 1.24 -0.05 0.00 0.50 0.00 0.00 46.19 47.78 1ut1 s LEU 13 CO 0.04 -0.18 0.14 -0.89 -1.32 0.00 0.00 176.35 174.15 1ut1 s THR 14 N 1.17 5.31 -0.18 3.68 2.01 -0.56 -0.65 115.64 126.43 1ut1 s THR 14 Ca -0.08 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1ut1 s THR 14 Cb -0.08 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1ut1 s THR 14 CO -0.10 0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 1ut1 s VAL 15 N 0.86 5.27 0.45 3.82 1.01 0.47 -0.94 120.40 131.35 1ut1 s VAL 15 Ca 0.07 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ut1 s VAL 15 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1ut1 s VAL 15 CO 0.03 0.48 0.08 0.42 0.00 0.00 0.00 175.10 176.10 1ut1 s THR 16 N 0.11 0.85 0.73 3.92 -4.23 0.26 -1.78 115.64 115.50 1ut1 s THR 16 Ca 0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1ut1 s THR 16 Cb -0.11 -2.29 0.15 0.00 1.34 0.00 0.00 72.50 71.59 1ut1 s THR 16 CO -0.01 0.00 0.99 -0.62 -0.54 0.00 0.00 174.62 174.45 1ut1 n GLU 17 N -1.05 -0.40 -0.33 3.99 -0.58 -1.26 -0.50 120.64 120.50 1ut1 n GLU 17 Ca -0.11 -2.25 -0.03 0.00 -0.42 0.00 0.00 57.16 54.34 1ut1 n GLU 17 Cb 0.66 -0.80 0.09 0.00 -0.57 0.00 0.00 31.44 30.82 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 1.19 -6.40 3.49 1.57 -1.98 -3.35 116.57 111.09 1ut1 h LYS 18 Ca -0.33 -0.09 -0.57 0.00 -1.87 0.00 0.00 60.65 57.80 1ut1 h LYS 18 Cb 1.09 -0.26 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 1ut1 h LYS 18 CO 0.30 0.81 0.89 0.00 -0.57 0.00 0.00 179.45 180.88 1ut1 s GLN 20 N 4.76 3.08 -0.31 0.00 0.74 -1.26 -5.07 119.66 121.60 1ut1 s GLN 20 Ca 0.40 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.98 1ut1 s GLN 20 Cb -0.09 -2.50 0.06 0.00 1.10 0.00 0.00 33.01 31.59 1ut1 s GLN 20 CO 0.23 -0.01 0.02 0.08 -0.55 0.00 0.00 175.29 175.06 1ut1 s VAL 21 N 0.84 2.83 -0.14 1.34 1.01 -1.26 -5.07 120.40 119.95 1ut1 s VAL 21 Ca -0.06 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 1ut1 s VAL 21 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1ut1 s VAL 21 CO -0.02 -0.22 0.77 -0.13 0.00 0.00 0.00 175.10 175.50 1ut1 s ARG 22 N 1.18 4.34 -0.16 2.72 1.81 -1.26 -5.04 118.95 122.54 1ut1 s ARG 22 Ca -0.02 0.93 0.01 0.00 -1.72 0.00 0.00 55.73 54.93 1ut1 s ARG 22 Cb -0.20 -3.53 0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1ut1 s ARG 22 CO -0.03 -0.19 -0.19 0.08 -0.68 0.00 0.00 175.30 174.29 1ut1 s VAL 23 N 1.67 2.26 0.00 3.52 1.01 -1.26 -5.05 120.40 122.54 1ut1 s VAL 23 Ca 0.37 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ut1 s VAL 23 Cb -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ut1 s VAL 23 CO 0.14 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1ut1 n GLY 24 N 4.26 -0.83 3.70 4.51 0.00 -1.26 -4.90 105.19 110.68 1ut1 n GLY 24 Ca -0.20 -1.18 -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 0.22 2.03 -4.74 1.61 10.43 -1.26 -4.89 116.55 119.96 1ut1 n ASP 25 Ca 0.00 0.92 -0.42 0.00 2.57 0.00 0.00 54.79 57.86 1ut1 n ASP 25 Cb 0.00 -1.51 -0.02 0.00 1.84 0.00 0.00 41.12 41.42 1ut1 n ASP 25 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ut1 s LEU 26 N -3.07 4.36 0.13 0.64 1.43 -1.26 -5.00 118.68 115.91 1ut1 s LEU 26 Ca 0.74 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.69 1ut1 s LEU 26 Cb -0.42 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1ut1 s LEU 26 CO 0.48 -0.89 0.02 0.42 0.23 0.00 0.00 176.35 176.61 1ut1 s THR 27 N 0.40 0.34 -0.30 5.49 -4.23 -1.26 -5.10 115.64 110.97 1ut1 s THR 27 Ca 0.66 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1ut1 s THR 27 Cb -0.47 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1ut1 s THR 27 CO 0.42 -0.57 1.76 -0.69 -0.54 0.00 0.00 174.62 174.99 1ut1 s VAL 28 N -3.88 3.52 0.04 2.29 1.01 -1.26 -4.98 120.40 117.13 1ut1 s VAL 28 Ca 0.21 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1ut1 s VAL 28 Cb 0.07 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1ut1 s VAL 28 CO 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 175.10 174.60 1ut1 s ALA 29 N 6.47 0.92 0.06 5.51 0.00 -1.26 -1.49 121.76 131.97 1ut1 s ALA 29 Ca 0.78 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1ut1 s ALA 29 Cb -0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1ut1 s ALA 29 CO 0.33 0.14 -0.08 0.15 0.00 0.00 0.00 175.76 176.30 1ut1 s LYS 30 N -1.13 0.63 0.72 0.00 1.02 -0.11 -4.95 119.74 115.91 1ut1 s LYS 30 Ca -0.01 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 1ut1 s LYS 30 Cb -0.08 -0.31 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 1ut1 s LYS 30 CO 0.01 0.04 1.07 0.95 -0.92 0.00 0.00 175.35 176.51 1ut1 s THR 31 N -1.92 3.76 0.24 2.17 -4.23 -1.26 -0.57 115.64 113.83 1ut1 s THR 31 Ca -0.04 0.57 0.25 0.00 -1.18 0.00 0.00 61.69 61.29 1ut1 s THR 31 Cb -0.06 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.62 1ut1 s THR 31 CO -0.01 -0.75 1.91 0.08 -0.54 0.00 0.00 174.62 175.32 1ut1 h ARG 32 N -0.75 0.00 0.00 3.99 0.11 -1.09 -1.20 114.38 115.43 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 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 1ut1 h ARG 32 CO 0.60 0.20 -0.00 0.78 0.10 0.00 0.00 179.97 181.64 1ut1 h GLY 33 N 1.62 0.00 0.66 0.08 0.00 -1.84 -0.98 103.07 102.62 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 0.03 0.00 -0.14 -1.06 0.00 0.00 0.00 176.54 175.37 1ut1 n GLN 34 N -3.09 0.79 -1.36 4.80 6.02 -0.45 -4.35 117.38 119.74 1ut1 n GLN 34 Ca -0.01 -0.33 -0.28 0.00 -0.01 0.00 0.00 57.00 56.36 1ut1 n GLN 34 Cb 0.19 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.88 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 -0.82 7.07 -4.90 1.08 4.77 -0.37 -4.84 117.00 118.99 1ut1 n LEU 35 Ca 0.14 -4.01 -0.28 0.00 -0.03 0.00 0.00 56.01 51.83 1ut1 n LEU 35 Cb 0.30 -1.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.02 1ut1 n LEU 35 CO 0.24 1.89 0.67 0.42 -1.33 0.00 0.00 177.39 179.28 1ut1 s THR 36 N 0.42 3.04 0.20 -5.08 -4.23 -1.26 -0.54 115.64 108.19 1ut1 s THR 36 Ca 0.64 0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.95 1ut1 s THR 36 Cb 0.26 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.69 1ut1 s THR 36 CO -0.08 -0.35 1.72 -0.67 -0.54 0.00 0.00 174.62 174.70 1ut1 n ASP 37 N -2.93 3.94 0.00 3.99 4.64 -1.26 -1.60 116.55 123.34 1ut1 n ASP 37 Ca 0.07 1.06 0.00 0.00 -1.38 0.00 0.00 54.79 54.53 1ut1 n ASP 37 Cb 0.59 -1.56 0.00 0.00 -1.04 0.00 0.00 41.12 39.10 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 4.02 0.00 -1.78 -1.67 0.00 0.19 -4.95 120.51 116.32 1ut1 n ALA 38 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1ut1 n ALA 38 Cb 0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.57 3.73 0.12 0.00 0.00 -0.63 -4.50 121.76 118.92 1ut1 s ALA 39 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 1ut1 s ALA 39 Cb 0.00 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 1ut1 s ALA 39 CO 0.00 -0.96 1.17 -2.14 0.00 0.00 0.00 175.76 173.83 1ut1 s PRO 40 N -0.49 4.49 -0.17 0.00 0.02 -1.26 -0.25 135.00 137.34 1ut1 s PRO 40 Ca 0.63 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 63.29 1ut1 s PRO 40 Cb -0.47 -3.30 -0.22 0.00 0.02 0.00 0.00 34.50 30.53 1ut1 s PRO 40 CO 0.47 -0.13 0.25 -0.89 -0.33 0.00 0.00 177.00 176.38 1ut1 n ILE 41 N 3.18 1.65 0.00 2.83 5.41 0.39 -4.90 119.36 127.92 1ut1 n ILE 41 Ca 0.06 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1ut1 n ILE 41 Cb 0.46 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 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 1.69 1.42 3.90 7.39 0.00 -1.17 -5.00 105.19 113.43 1ut1 n GLY 42 Ca -0.33 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 3.63 -0.12 1.61 0.04 -1.26 -1.57 135.00 135.32 1ut1 s PRO 43 Ca 0.00 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.19 1ut1 s PRO 43 Cb 0.00 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 32.09 1ut1 s PRO 43 CO 0.00 -0.01 -0.04 0.08 0.04 0.00 0.00 177.00 177.07 1ut1 s VAL 44 N -2.42 0.83 0.23 -0.36 1.01 0.15 -4.96 120.40 114.89 1ut1 s VAL 44 Ca 0.47 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1ut1 s VAL 44 Cb -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1ut1 s VAL 44 CO 0.36 0.24 0.88 0.28 0.00 0.00 0.00 175.10 176.86 1ut1 s THR 45 N 1.77 4.23 -0.03 3.92 -1.32 -1.26 -0.55 115.64 122.39 1ut1 s THR 45 Ca 0.04 1.86 0.03 0.00 -1.21 0.00 0.00 61.69 62.40 1ut1 s THR 45 Cb -0.13 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.69 1ut1 s THR 45 CO -0.07 0.41 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.95 1ut1 s VAL 46 N -1.29 0.94 -0.12 5.08 1.01 -0.18 -4.94 120.40 120.90 1ut1 s VAL 46 Ca 0.41 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ut1 s VAL 46 Cb -0.23 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.37 1ut1 s VAL 46 CO 0.28 0.29 0.14 -1.58 0.00 0.00 0.00 175.10 174.23 1ut1 s GLN 47 N 0.26 0.05 -0.04 2.72 2.00 -1.26 -1.00 119.66 122.39 1ut1 s GLN 47 Ca -0.05 0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 53.60 1ut1 s GLN 47 Cb -0.10 -0.80 -0.04 0.00 0.80 0.00 0.00 33.01 32.86 1ut1 s GLN 47 CO 0.01 -0.45 0.18 0.00 -0.50 0.00 0.00 175.29 174.53 1ut1 s ALA 48 N 2.25 3.93 0.01 1.58 0.00 0.02 -5.00 121.76 124.55 1ut1 s ALA 48 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1ut1 s ALA 48 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 1ut1 s ALA 48 CO -0.07 0.71 -0.06 -0.51 0.00 0.00 0.00 175.76 175.82 1ut1 s LEU 49 N -1.68 2.07 -0.44 0.00 1.02 -1.26 -4.49 118.68 113.90 1ut1 s LEU 49 Ca 0.24 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.17 1ut1 s LEU 49 Cb -0.13 -0.25 0.00 0.00 0.02 0.00 0.00 46.19 45.83 1ut1 s LEU 49 CO 0.15 -0.00 0.00 0.61 0.02 0.00 0.00 176.35 177.12 1ut1 n GLY 50 N 2.56 0.70 1.13 -3.19 0.00 -1.26 -4.93 105.19 100.21 1ut1 n GLY 50 Ca -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 1.12 0.00 -0.20 0.00 3.45 -1.92 -1.95 116.42 116.92 1ut1 h ASP 52 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1ut1 h ASP 52 Cb 1.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 1ut1 h ASP 52 CO 0.36 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.03 1ut1 n ALA 53 N -2.43 2.34 -2.41 3.45 0.00 -1.26 -3.27 120.51 116.93 1ut1 n ALA 53 Ca 0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 53.44 51.67 1ut1 n ALA 53 Cb 0.27 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.67 1.50 -0.39 0.00 1.81 -0.78 -4.91 118.95 114.51 1ut1 s ARG 54 Ca 0.23 -1.71 -0.17 0.00 -1.72 0.00 0.00 55.73 52.36 1ut1 s ARG 54 Cb 0.17 -1.28 0.01 0.00 -0.45 0.00 0.00 34.95 33.39 1ut1 s ARG 54 CO 0.09 0.15 0.45 -0.65 -0.68 0.00 0.00 175.30 174.66 1ut1 s GLN 55 N -3.65 3.31 0.52 3.54 -0.21 -1.25 -1.72 119.66 120.19 1ut1 s GLN 55 Ca 0.27 -0.54 -0.23 0.00 0.02 0.00 0.00 55.36 54.88 1ut1 s GLN 55 Cb 0.00 -3.90 -0.06 0.00 1.00 0.00 0.00 33.01 30.05 1ut1 s GLN 55 CO 0.11 -0.75 1.36 0.28 -2.12 0.00 0.00 175.29 174.16 1ut1 n VAL 56 N 5.43 3.49 -3.69 1.09 0.31 -1.26 -0.86 118.33 122.82 1ut1 n VAL 56 Ca -0.07 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.62 1ut1 n VAL 56 Cb 0.48 -1.68 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 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 -1.26 -1.02 -0.08 3.52 0.00 -0.40 -0.56 121.76 121.95 1ut1 s ALA 57 Ca 0.68 0.51 0.04 0.00 0.00 0.00 0.00 51.96 53.20 1ut1 s ALA 57 Cb -0.43 0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1ut1 s ALA 57 CO 0.52 -0.32 -0.20 -0.51 0.00 0.00 0.00 175.76 175.24 1ut1 s LEU 58 N -1.44 1.95 -0.16 0.00 1.43 0.17 -1.22 118.68 119.41 1ut1 s LEU 58 Ca -0.11 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1ut1 s LEU 58 Cb -0.03 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1ut1 s LEU 58 CO 0.04 0.13 -0.04 -0.75 0.23 0.00 0.00 176.35 175.96 1ut1 s LYS 59 N 0.38 3.63 0.40 1.70 2.20 0.15 -0.29 119.74 127.92 1ut1 s LYS 59 Ca -0.16 -0.54 -0.23 0.00 -0.36 0.00 0.00 55.97 54.69 1ut1 s LYS 59 Cb -0.17 -2.92 -0.10 0.00 -1.51 0.00 0.00 37.83 33.13 1ut1 s LYS 59 CO 0.07 0.19 0.98 0.00 -0.36 0.00 0.00 175.35 176.23 1ut1 s ALA 60 N 0.51 3.07 0.62 3.13 0.00 0.16 -1.04 121.76 128.21 1ut1 s ALA 60 Ca -0.03 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 1ut1 s ALA 60 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ut1 s ALA 60 CO 0.03 0.00 1.00 -3.47 0.00 0.00 0.00 175.76 173.32 1ut1 n ASP 61 N -0.25 0.89 -0.34 0.00 2.03 -0.63 -4.85 116.55 113.40 1ut1 n ASP 61 Ca 0.06 0.79 0.19 0.00 0.52 0.00 0.00 54.79 56.35 1ut1 n ASP 61 Cb 0.52 -1.41 0.42 0.00 -0.72 0.00 0.00 41.12 39.93 1ut1 n ASP 61 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ut1 h THR 62 N 0.41 0.52 0.00 5.18 2.02 -1.93 0.51 112.91 119.62 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 1.36 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1ut1 h THR 62 CO 0.51 0.10 0.00 0.47 0.37 0.00 0.00 175.52 176.96 1ut1 n ASP 63 N -4.82 0.00 -0.57 4.18 8.00 -1.26 -3.57 116.55 118.52 1ut1 n ASP 63 Ca 0.27 -0.70 0.05 0.00 0.71 0.00 0.00 54.79 55.12 1ut1 n ASP 63 Cb 0.80 -0.04 0.12 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.04 2.58 -3.84 -2.24 3.02 0.17 -4.72 115.26 109.18 1ut1 n ASN 64 Ca 0.18 -1.82 -0.12 0.00 -0.03 0.00 0.00 54.58 52.80 1ut1 n ASN 64 Cb 0.10 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.97 -0.01 -0.28 3.10 5.36 -1.23 -1.19 117.98 122.75 1ut1 s PHE 65 Ca 0.19 -0.05 -0.22 0.00 -0.96 0.00 0.00 56.93 55.89 1ut1 s PHE 65 Cb 0.11 -0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.89 1ut1 s PHE 65 CO 0.15 -0.33 0.93 -2.00 -1.46 0.00 0.00 175.22 172.51 1ut1 s GLU 66 N -1.53 0.55 -1.28 10.12 2.12 -0.39 -4.98 118.70 123.31 1ut1 s GLU 66 Ca -0.13 0.74 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1ut1 s GLU 66 Cb -0.06 0.22 -0.00 0.00 0.26 0.00 0.00 34.13 34.54 1ut1 s GLU 66 CO 0.02 -0.08 0.73 0.94 -0.54 0.00 0.00 175.26 176.32 1ut1 n GLN 67 N 2.86 -4.67 -1.08 4.30 0.00 -1.26 -1.22 117.38 116.31 1ut1 n GLN 67 Ca -0.15 0.63 -0.03 0.00 -0.00 0.00 0.00 57.00 57.46 1ut1 n GLN 67 Cb 0.56 -5.18 -0.01 0.00 0.00 0.00 0.00 30.24 25.61 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 -1.54 0.37 3.40 1.69 0.00 -1.26 -4.98 105.19 102.86 1ut1 n GLY 68 Ca -0.28 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.86 2.37 0.11 1.61 1.02 -0.36 -5.04 119.74 117.60 1ut1 s LYS 69 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.22 1ut1 s LYS 69 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1ut1 s LYS 69 CO 0.00 0.57 0.16 -0.06 -0.92 0.00 0.00 175.35 175.10 1ut1 s PHE 70 N -0.62 3.29 -0.11 3.18 0.40 -1.26 -1.26 117.98 121.59 1ut1 s PHE 70 Ca 0.09 0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 56.22 1ut1 s PHE 70 Cb -0.11 -1.62 0.07 0.00 0.51 0.00 0.00 43.02 41.87 1ut1 s PHE 70 CO 0.00 0.53 0.68 -0.59 0.70 0.00 0.00 175.22 176.55 1ut1 s PHE 71 N -1.58 -0.68 0.53 0.36 -0.12 -0.33 -1.80 117.98 114.36 1ut1 s PHE 71 Ca 0.32 1.31 -0.19 0.00 -0.05 0.00 0.00 56.93 58.32 1ut1 s PHE 71 Cb -0.11 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.58 1ut1 s PHE 71 CO 0.25 -0.55 1.09 -0.51 -0.05 0.00 0.00 175.22 175.45 1ut1 s LEU 72 N -0.79 3.74 0.02 -1.99 1.02 0.09 -4.54 118.68 116.23 1ut1 s LEU 72 Ca -0.08 2.05 0.07 0.00 0.02 0.00 0.00 54.13 56.19 1ut1 s LEU 72 Cb -0.01 -4.57 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 1ut1 s LEU 72 CO 0.08 -1.08 -0.21 -0.51 0.02 0.00 0.00 176.35 174.64 1ut1 s ILE 73 N -1.93 1.69 0.88 -0.59 1.10 -0.22 -1.08 121.20 121.05 1ut1 s ILE 73 Ca 0.70 -1.07 -0.11 0.00 -0.51 0.00 0.00 60.65 59.66 1ut1 s ILE 73 Cb -0.20 -1.44 0.12 0.00 0.15 0.00 0.00 42.46 41.09 1ut1 s ILE 73 CO 0.26 0.34 1.10 -0.94 -2.11 0.00 0.00 174.94 173.58 1ut1 s SER 74 N -0.87 3.48 0.39 4.50 1.04 -0.03 -1.19 113.70 121.01 1ut1 s SER 74 Ca 0.08 1.75 0.11 0.00 0.48 0.00 0.00 55.95 58.37 1ut1 s SER 74 Cb -0.09 -2.38 0.90 0.00 0.10 0.00 0.00 66.02 64.55 1ut1 s SER 74 CO 0.01 -2.68 1.91 0.44 0.98 0.00 0.00 173.24 173.90 1ut1 h ASP 75 N -1.57 0.54 -0.12 7.02 5.19 -1.59 -0.80 116.42 125.09 1ut1 h ASP 75 Ca -0.47 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1ut1 h ASP 75 Cb 1.27 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1ut1 h ASP 75 CO 0.50 0.29 0.00 -0.46 -3.12 0.00 0.00 179.24 176.46 1ut1 n ASN 76 N -4.51 0.90 0.00 6.45 2.04 -1.26 -4.90 115.26 113.97 1ut1 n ASN 76 Ca 0.15 -1.72 0.00 0.00 -0.44 0.00 0.00 54.58 52.57 1ut1 n ASN 76 Cb 0.45 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.62 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 -0.13 -2.42 -0.07 0.53 4.05 -0.31 -4.91 115.26 112.00 1ut1 n ASN 77 Ca 0.12 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.93 1ut1 n ASN 77 Cb 0.18 -1.46 -0.12 0.00 1.23 0.00 0.00 39.78 39.61 1ut1 n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1ut1 n ARG 78 N -1.61 0.64 -3.78 1.20 0.63 -1.26 -4.86 116.66 107.62 1ut1 n ARG 78 Ca 0.00 0.44 -0.35 0.00 -0.92 0.00 0.00 57.85 57.02 1ut1 n ARG 78 Cb 0.12 -1.71 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 1ut1 n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ut1 s ASP 79 N -6.95 6.14 -0.04 6.15 1.01 -1.26 -4.94 116.67 116.77 1ut1 s ASP 79 Ca -0.27 0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.19 1ut1 s ASP 79 Cb 0.07 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 1ut1 s ASP 79 CO 0.65 0.20 0.10 -0.54 0.21 0.00 0.00 175.17 175.78 1ut1 s LYS 80 N 0.24 3.20 -0.32 8.23 1.02 -1.26 -0.85 119.74 130.00 1ut1 s LYS 80 Ca 0.08 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.73 1ut1 s LYS 80 Cb -0.11 -2.96 0.09 0.00 -0.52 0.00 0.00 37.83 34.33 1ut1 s LYS 80 CO -0.01 0.69 0.04 -1.17 -0.92 0.00 0.00 175.35 173.98 1ut1 s LEU 81 N -1.48 3.86 0.32 3.17 2.96 -0.24 -4.97 118.68 122.29 1ut1 s LEU 81 Ca 0.20 -1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 51.93 1ut1 s LEU 81 Cb -0.12 -1.40 -0.10 0.00 0.50 0.00 0.00 46.19 45.07 1ut1 s LEU 81 CO 0.11 -0.36 1.26 -0.31 -1.32 0.00 0.00 176.35 175.73 1ut1 s TYR 82 N 1.13 3.17 0.11 5.38 1.51 -1.26 -0.73 117.35 126.66 1ut1 s TYR 82 Ca 0.08 1.47 0.02 0.00 -1.01 0.00 0.00 57.07 57.64 1ut1 s TYR 82 Cb -0.19 -3.59 -0.04 0.00 -0.11 0.00 0.00 41.96 38.03 1ut1 s TYR 82 CO -0.12 -1.57 -0.07 0.14 -1.11 0.00 0.00 175.55 172.82 1ut1 s VAL 83 N -1.13 0.78 0.02 0.71 -7.23 -0.74 -0.78 120.40 112.03 1ut1 s VAL 83 Ca 0.48 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1ut1 s VAL 83 Cb -0.38 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1ut1 s VAL 83 CO 0.50 -0.81 0.09 0.20 -0.31 0.00 0.00 175.10 174.77 1ut1 s ASN 84 N -3.08 5.71 -0.15 4.85 0.01 0.47 -4.38 114.94 118.38 1ut1 s ASN 84 Ca 0.14 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.43 1ut1 s ASN 84 Cb 0.05 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 40.10 1ut1 s ASN 84 CO -0.03 0.24 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.97 1ut1 s ILE 85 N -1.27 1.98 -0.10 0.60 1.01 -1.26 -1.17 121.20 120.99 1ut1 s ILE 85 Ca 0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1ut1 s ILE 85 Cb -0.12 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.64 1ut1 s ILE 85 CO 0.17 0.53 0.22 -0.60 0.00 0.00 0.00 174.94 175.26 1ut1 s ARG 86 N 0.99 0.14 0.66 2.79 3.52 -0.51 -4.98 118.95 121.55 1ut1 s ARG 86 Ca -0.03 0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 55.99 1ut1 s ARG 86 Cb -0.15 -0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 33.11 1ut1 s ARG 86 CO -0.05 -0.23 1.17 -1.25 -0.81 0.00 0.00 175.30 174.13 1ut1 s PRO 87 N 1.82 2.67 0.00 5.12 0.04 -1.26 -0.76 135.00 142.63 1ut1 s PRO 87 Ca -0.04 1.64 0.27 0.00 0.04 0.00 0.00 61.00 62.91 1ut1 s PRO 87 Cb -0.11 -1.91 0.85 0.00 0.04 0.00 0.00 34.50 33.36 1ut1 s PRO 87 CO -0.08 -1.40 1.63 0.25 0.04 0.00 0.00 177.00 177.45 1ut1 n THR 88 N -2.21 0.00 -2.28 1.26 -2.24 -0.13 -4.84 114.28 103.84 1ut1 n THR 88 Ca 0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1ut1 n THR 88 Cb 0.51 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.19 0.00 -0.47 3.42 3.85 -1.26 -4.99 116.55 115.91 1ut1 n ASP 89 Ca 0.09 -0.46 0.05 0.00 -0.71 0.00 0.00 54.79 53.76 1ut1 n ASP 89 Cb 0.32 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.26 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 -1.39 1.36 -4.79 -1.12 3.02 -1.26 -4.97 115.26 106.11 1ut1 n ASN 90 Ca 0.00 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.26 1ut1 n ASN 90 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1ut1 n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ut1 s SER 91 N -1.09 6.43 -0.17 6.41 1.04 -1.26 -5.03 113.70 120.03 1ut1 s SER 91 Ca 0.19 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.54 1ut1 s SER 91 Cb 0.10 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 1ut1 s SER 91 CO 0.14 -0.72 0.12 0.00 0.98 0.00 0.00 173.24 173.76 1ut1 s ALA 92 N -1.84 3.71 0.16 5.32 0.00 -1.26 -4.86 121.76 122.99 1ut1 s ALA 92 Ca 0.64 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1ut1 s ALA 92 Cb -0.19 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1ut1 s ALA 92 CO 0.24 0.33 -0.06 -1.58 0.00 0.00 0.00 175.76 174.69 1ut1 s TRP 93 N -0.13 1.23 0.08 0.00 0.52 -1.26 -0.84 118.94 118.54 1ut1 s TRP 93 Ca 0.10 -0.87 0.08 0.00 0.02 0.00 0.00 56.10 55.42 1ut1 s TRP 93 Cb -0.11 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 1ut1 s TRP 93 CO 0.00 -0.04 -0.20 0.99 0.02 0.00 0.00 176.95 177.72 1ut1 s THR 94 N -3.47 1.60 -0.20 2.01 2.01 0.68 -4.87 115.64 113.40 1ut1 s THR 94 Ca 0.19 -1.42 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 1ut1 s THR 94 Cb 0.04 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1ut1 s THR 94 CO 0.02 -0.03 0.06 -0.89 -0.69 0.00 0.00 174.62 173.10 1ut1 s THR 95 N -1.09 4.64 -0.27 -0.82 2.01 -1.26 -1.15 115.64 117.70 1ut1 s THR 95 Ca 0.05 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1ut1 s THR 95 Cb -0.10 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.39 1ut1 s THR 95 CO 0.03 0.42 0.14 -0.62 -0.69 0.00 0.00 174.62 173.90 1ut1 s ASP 96 N 0.75 3.18 -1.32 3.53 3.68 0.22 -4.97 116.67 121.76 1ut1 s ASP 96 Ca 0.03 -1.12 -0.07 0.00 2.13 0.00 0.00 52.55 53.52 1ut1 s ASP 96 Cb -0.13 -0.27 -0.00 0.00 -1.45 0.00 0.00 42.92 41.07 1ut1 s ASP 96 CO 0.02 -0.42 0.55 -3.20 0.13 0.00 0.00 175.17 172.25 1ut1 n ASN 97 N 5.26 -1.85 0.00 -0.34 5.15 -1.26 -1.46 115.26 120.76 1ut1 n ASN 97 Ca -0.06 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1ut1 n ASN 97 Cb 0.44 -3.20 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 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 1.14 3.61 8.20 0.00 -1.26 -5.00 105.19 110.02 1ut1 n GLY 98 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.44 4.52 -0.37 1.61 1.01 -0.54 -0.67 120.40 123.53 1ut1 s VAL 99 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1ut1 s VAL 99 Cb 0.00 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.46 1ut1 s VAL 99 CO 0.00 0.49 0.13 0.12 0.00 0.00 0.00 175.10 175.84 1ut1 s PHE 100 N 0.17 3.43 0.15 5.22 5.36 0.60 -0.61 117.98 132.30 1ut1 s PHE 100 Ca 0.03 -2.05 0.11 0.00 -0.96 0.00 0.00 56.93 54.06 1ut1 s PHE 100 Cb -0.13 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.78 1ut1 s PHE 100 CO 0.01 -0.88 -0.25 1.52 -1.46 0.00 0.00 175.22 174.16 1ut1 s TYR 101 N 1.23 2.24 0.20 10.12 1.13 -0.30 -0.65 117.35 131.32 1ut1 s TYR 101 Ca 0.02 -0.38 -0.29 0.00 -1.41 0.00 0.00 57.07 55.01 1ut1 s TYR 101 Cb -0.21 -1.17 -0.08 0.00 -1.10 0.00 0.00 41.96 39.40 1ut1 s TYR 101 CO -0.02 0.39 0.92 0.21 -2.51 0.00 0.00 175.55 174.55 1ut1 s LYS 102 N -2.32 4.79 0.57 -3.49 2.20 0.28 -0.23 119.74 121.52 1ut1 s LYS 102 Ca 0.16 1.44 0.35 0.00 -0.36 0.00 0.00 55.97 57.56 1ut1 s LYS 102 Cb -0.09 -3.30 1.57 0.00 -1.51 0.00 0.00 37.83 34.50 1ut1 s LYS 102 CO 0.07 0.45 2.06 -0.91 -0.36 0.00 0.00 175.35 176.67 1ut1 h ASN 103 N 4.51 0.00 -2.70 1.43 -0.26 -1.33 -3.43 115.58 113.80 1ut1 h ASN 103 Ca -0.45 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 54.77 1ut1 h ASN 103 Cb 1.20 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.32 1ut1 h ASN 103 CO 0.69 0.02 -0.70 -1.81 -1.06 0.00 0.00 177.43 174.56 1ut1 s ASP 104 N -5.63 3.03 0.79 5.81 -0.00 -1.26 -5.10 116.67 114.31 1ut1 s ASP 104 Ca -0.00 -1.12 -0.12 0.00 -0.00 0.00 0.00 52.55 51.31 1ut1 s ASP 104 Cb 0.10 -0.21 0.06 0.00 -0.00 0.00 0.00 42.92 42.87 1ut1 s ASP 104 CO 0.52 -0.21 1.11 0.68 -0.00 0.00 0.00 175.17 177.28 1ut1 s VAL 105 N -2.85 2.92 0.00 -1.27 -7.23 -1.26 -4.56 120.40 106.15 1ut1 s VAL 105 Ca 0.28 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 1ut1 s VAL 105 Cb 0.01 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1ut1 s VAL 105 CO 0.12 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 1ut1 n GLY 106 N -2.53 4.20 3.21 2.32 0.00 -0.70 -4.93 105.19 106.75 1ut1 n GLY 106 Ca 0.07 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 4.59 -4.77 1.61 7.64 -1.20 -4.46 113.62 117.03 1ut1 n SER 107 Ca 0.00 -2.91 -0.37 0.00 1.01 0.00 0.00 58.87 56.60 1ut1 n SER 107 Cb 0.00 -1.68 -0.01 0.00 -1.01 0.00 0.00 64.21 61.51 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 3.33 2.88 0.02 1.43 -0.00 -1.26 -4.60 118.94 120.73 1ut1 s TRP 108 Ca 0.49 1.53 0.03 0.00 -0.00 0.00 0.00 56.10 58.15 1ut1 s TRP 108 Cb 0.07 -3.41 -0.02 0.00 -0.00 0.00 0.00 33.47 30.11 1ut1 s TRP 108 CO 0.01 -1.56 -0.08 0.20 -0.00 0.00 0.00 176.95 175.51 1ut1 s GLY 109 N -1.27 0.48 0.00 5.86 0.00 -1.26 -0.80 107.32 110.33 1ut1 s GLY 109 Ca 0.62 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1ut1 s GLY 109 CO 0.37 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.52 1ut1 n GLY 110 N 2.20 -0.99 3.11 0.20 0.00 -0.17 -5.00 105.19 104.54 1ut1 n GLY 110 Ca -0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.00 1.61 -0.21 -0.61 1.01 -1.26 -1.01 121.20 117.73 1ut1 s ILE 111 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 1ut1 s ILE 111 Cb 0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1ut1 s ILE 111 CO 0.00 0.46 0.05 -0.63 0.00 0.00 0.00 174.94 174.82 1ut1 s ILE 112 N 0.62 4.44 0.00 2.92 -1.09 0.29 -0.96 121.20 127.42 1ut1 s ILE 112 Ca -0.14 -0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1ut1 s ILE 112 Cb -0.16 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1ut1 s ILE 112 CO 0.04 0.41 0.35 -0.83 -1.23 0.00 0.00 174.94 173.69 1ut1 s GLY 113 N 0.92 2.37 -0.17 6.18 0.00 0.06 0.30 107.32 116.99 1ut1 s GLY 113 Ca 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.37 1ut1 s GLY 113 CO 0.02 -0.06 -0.09 -0.42 0.00 0.00 0.00 173.10 172.56 1ut1 s ILE 114 N -1.18 3.23 0.07 0.90 -1.09 -0.61 -1.43 121.20 121.09 1ut1 s ILE 114 Ca 0.25 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 1ut1 s ILE 114 Cb -0.15 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1ut1 s ILE 114 CO 0.14 0.48 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.88 1ut1 s TYR 115 N 0.87 1.13 0.19 3.97 2.02 -0.31 -0.47 117.35 124.75 1ut1 s TYR 115 Ca -0.02 -0.47 -0.32 0.00 -0.37 0.00 0.00 57.07 55.89 1ut1 s TYR 115 Cb -0.15 -0.64 -0.11 0.00 -0.40 0.00 0.00 41.96 40.67 1ut1 s TYR 115 CO 0.01 0.04 1.61 0.08 -1.57 0.00 0.00 175.55 175.71 1ut1 s VAL 116 N -1.33 2.42 -0.53 0.71 1.01 0.66 -0.40 120.40 122.94 1ut1 s VAL 116 Ca -0.03 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1ut1 s VAL 116 Cb -0.10 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.22 1ut1 s VAL 116 CO 0.02 0.03 0.45 -0.62 0.00 0.00 0.00 175.10 174.98 1ut1 s ASP 117 N 1.08 5.99 0.00 3.32 2.15 0.04 -0.64 116.67 128.61 1ut1 s ASP 117 Ca 0.71 -1.95 0.00 0.00 0.43 0.00 0.00 52.55 51.74 1ut1 s ASP 117 Cb -0.46 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 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 4.95 -1.12 3.68 2.66 0.00 -1.26 -4.75 105.19 109.34 1ut1 n GLY 118 Ca -0.08 -1.28 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 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 0.30 2.35 -2.57 1.61 -0.00 -1.26 -4.49 117.38 113.32 1ut1 n GLN 119 Ca 0.00 0.85 -0.16 0.00 -0.00 0.00 0.00 57.00 57.68 1ut1 n GLN 119 Cb 0.00 -2.64 0.02 0.00 -0.00 0.00 0.00 30.24 27.61 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 3.70 2.19 0.00 2.61 6.02 0.30 -4.91 117.38 127.29 1ut1 n GLN 120 Ca 0.17 -3.81 0.08 0.00 -0.01 0.00 0.00 57.00 53.43 1ut1 n GLN 120 Cb 0.31 -1.71 0.48 0.00 1.02 0.00 0.00 30.24 30.34 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 -0.28 0.12 -0.40 5.09 -2.24 -1.24 -2.17 114.28 113.17 1ut1 n THR 121 Ca 0.22 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1ut1 n THR 121 Cb 0.76 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.06 3.66 -4.69 3.42 3.02 -1.26 -4.25 115.26 114.09 1ut1 n ASN 122 Ca 0.12 -2.19 -0.44 0.00 -0.03 0.00 0.00 54.58 52.04 1ut1 n ASN 122 Cb 0.07 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.19 -1.97 3.41 -1.04 -0.92 -4.92 114.28 109.88 1ut1 n THR 123 Ca 0.19 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.75 1ut1 n THR 123 Cb 0.62 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 0.72 3.92 0.38 -2.82 0.02 -1.26 -4.83 135.00 131.14 1ut1 s PRO 124 Ca 0.75 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.76 1ut1 s PRO 124 Cb -0.60 -2.76 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 1ut1 s PRO 124 CO 0.38 -0.57 1.43 -2.30 -0.33 0.00 0.00 177.00 175.61 1ut1 n PRO 125 N 0.10 2.49 -3.71 5.54 -0.02 -1.26 -4.85 135.00 133.29 1ut1 n PRO 125 Ca 0.04 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1ut1 n PRO 125 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.55 -1.78 3.57 -1.23 0.00 -0.74 -4.96 105.19 100.60 1ut1 n GLY 126 Ca 0.03 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.36 5.41 0.08 1.61 0.01 -1.26 -0.39 114.94 118.03 1ut1 s ASN 127 Ca 0.00 -0.03 0.10 0.00 -0.71 0.00 0.00 52.86 52.22 1ut1 s ASN 127 Cb 0.00 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1ut1 s ASN 127 CO 0.00 0.11 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.14 1ut1 s TYR 128 N 0.75 2.21 -0.01 2.20 2.02 0.18 -1.38 117.35 123.32 1ut1 s TYR 128 Ca 0.03 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1ut1 s TYR 128 Cb -0.14 -1.27 -0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1ut1 s TYR 128 CO 0.02 0.20 0.07 0.99 -1.57 0.00 0.00 175.55 175.26 1ut1 s THR 129 N -0.92 0.04 -0.09 -0.71 2.01 -0.34 -1.16 115.64 114.47 1ut1 s THR 129 Ca 0.12 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1ut1 s THR 129 Cb -0.10 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1ut1 s THR 129 CO 0.04 -0.20 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.49 1ut1 s LEU 130 N -0.63 1.05 -0.15 4.42 2.96 0.22 -1.06 118.68 125.49 1ut1 s LEU 130 Ca -0.07 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1ut1 s LEU 130 Cb -0.04 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 1ut1 s LEU 130 CO 0.00 -0.13 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.91 1ut1 s THR 131 N 1.67 3.17 -0.07 3.68 2.01 -1.26 -0.38 115.64 124.46 1ut1 s THR 131 Ca 0.03 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1ut1 s THR 131 Cb -0.13 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1ut1 s THR 131 CO -0.06 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.45 1ut1 s LEU 132 N 0.61 1.81 -0.08 4.42 1.43 0.13 -1.60 118.68 125.41 1ut1 s LEU 132 Ca -0.06 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1ut1 s LEU 132 Cb -0.15 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1ut1 s LEU 132 CO 0.03 0.09 -0.19 -0.89 0.23 0.00 0.00 176.35 175.62 1ut1 s THR 133 N 0.45 2.60 0.48 5.49 2.01 -0.21 -0.13 115.64 126.33 1ut1 s THR 133 Ca -0.13 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 1ut1 s THR 133 Cb -0.15 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.25 1ut1 s THR 133 CO 0.05 0.56 0.98 -0.83 -0.69 0.00 0.00 174.62 174.69 1ut1 s GLY 134 N -0.14 2.27 0.00 4.40 0.00 -0.23 -0.67 107.32 112.96 1ut1 s GLY 134 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1ut1 s GLY 134 CO 0.04 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1ut1 n GLY 135 N -0.94 -0.59 3.05 0.20 0.00 -0.36 -1.47 105.19 105.09 1ut1 n GLY 135 Ca 0.07 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.00 0.50 0.13 1.61 1.13 -0.65 -1.28 117.35 115.79 1ut1 s TYR 136 Ca 0.00 -0.72 0.10 0.00 -1.41 0.00 0.00 57.07 55.04 1ut1 s TYR 136 Cb 0.00 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 1ut1 s TYR 136 CO 0.00 -0.21 -0.19 -0.46 -2.51 0.00 0.00 175.55 172.18 1ut1 s TRP 137 N -2.37 2.49 0.00 -3.49 -0.00 -0.04 -0.61 118.94 114.92 1ut1 s TRP 137 Ca -0.05 -0.29 -0.16 0.00 -0.00 0.00 0.00 56.10 55.60 1ut1 s TRP 137 Cb -0.03 -1.30 0.03 0.00 -0.00 0.00 0.00 33.47 32.16 1ut1 s TRP 137 CO -0.04 0.40 0.35 0.00 -0.00 0.00 0.00 176.95 177.67 1ut1 s ALA 138 N -1.24 -0.86 -2.11 5.86 0.00 -0.57 -3.96 121.76 118.88 1ut1 s ALA 138 Ca 0.18 0.33 0.31 0.00 0.00 0.00 0.00 51.96 52.78 1ut1 s ALA 138 Cb -0.10 0.16 1.73 0.00 0.00 0.00 0.00 23.12 24.90 1ut1 s ALA 138 CO 0.10 -0.32 2.13 1.63 0.00 0.00 0.00 175.76 179.29