#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqi h ILE 2 N 0.00 0.00 0.00 2.02 2.10 -2.04 -2.36 117.51 117.23 1dqi h ILE 2 Ca 0.00 -0.23 -0.00 0.00 1.08 0.00 0.00 64.86 65.71 1dqi h ILE 2 Cb 0.00 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1dqi h ILE 2 CO 0.00 0.00 -0.01 0.77 -1.08 0.00 0.00 178.15 177.83 1dqi h SER 3 N 0.00 0.00 0.33 2.19 4.64 -2.05 -0.37 113.55 118.28 1dqi h SER 3 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqi h SER 3 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1dqi h SER 3 CO 0.00 0.01 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 1dqi n GLU 4 N -3.24 0.43 0.00 4.77 0.28 -0.89 -2.46 120.64 119.54 1dqi n GLU 4 Ca -0.03 0.05 0.04 0.00 -0.16 0.00 0.00 57.16 57.07 1dqi n GLU 4 Cb 0.10 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.48 1dqi n GLU 4 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1dqi n THR 5 N -1.22 0.00 -3.86 3.84 -2.24 -0.15 -4.97 114.28 105.68 1dqi n THR 5 Ca 0.12 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 1dqi n THR 5 Cb 0.16 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1dqi n THR 5 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dqi s ILE 6 N -1.00 5.12 0.17 2.28 1.01 -1.03 -3.67 121.20 124.09 1dqi s ILE 6 Ca 0.08 0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1dqi s ILE 6 Cb 0.07 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1dqi s ILE 6 CO 0.16 0.45 0.01 -0.13 0.00 0.00 0.00 174.94 175.44 1dqi s ARG 7 N 0.35 2.45 0.29 2.79 0.52 -0.45 -4.96 118.95 119.95 1dqi s ARG 7 Ca 0.06 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1dqi s ARG 7 Cb -0.12 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 1dqi s ARG 7 CO -0.01 0.46 0.25 -1.54 0.02 0.00 0.00 175.30 174.49 1dqi s SER 8 N -2.91 1.19 0.00 0.23 1.04 -1.26 -0.99 113.70 111.00 1dqi s SER 8 Ca 0.28 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1dqi s SER 8 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1dqi s SER 8 CO 0.19 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1dqi n GLY 9 N -0.52 -0.50 3.54 7.32 0.00 -1.26 -5.02 105.19 108.74 1dqi n GLY 9 Ca 0.06 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1dqi n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dqi s ASP 10 N -4.00 6.17 0.54 1.61 1.01 -1.26 -4.94 116.67 115.80 1dqi s ASP 10 Ca 0.00 -0.28 0.31 0.00 0.71 0.00 0.00 52.55 53.29 1dqi s ASP 10 Cb 0.00 -2.19 1.53 0.00 1.01 0.00 0.00 42.92 43.27 1dqi s ASP 10 CO 0.00 -0.35 2.07 4.11 0.21 0.00 0.00 175.17 181.21 1dqi h TRP 11 N 8.48 0.00 0.00 4.23 5.08 -1.88 0.19 115.95 132.06 1dqi h TRP 11 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1dqi h TRP 11 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1dqi h TRP 11 CO 0.68 0.09 0.00 1.17 -1.28 0.00 0.00 178.44 179.10 1dqi n LYS 12 N -3.39 0.12 0.00 0.12 4.81 -1.26 -3.25 118.16 115.31 1dqi n LYS 12 Ca -0.01 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1dqi n LYS 12 Cb 0.25 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1dqi n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dqi n GLY 13 N 0.49 0.46 3.32 3.14 0.00 -0.68 -4.96 105.19 106.97 1dqi n GLY 13 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1dqi n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dqi n GLU 14 N -0.52 0.86 -0.95 1.61 -0.58 -0.03 -5.04 120.64 115.99 1dqi n GLU 14 Ca 0.00 -3.39 0.02 0.00 -0.42 0.00 0.00 57.16 53.37 1dqi n GLU 14 Cb 0.02 0.95 0.02 0.00 -0.57 0.00 0.00 31.44 31.85 1dqi n GLU 14 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1dqi n LYS 15 N -1.15 0.05 0.00 3.49 2.85 -1.26 -4.35 118.16 117.79 1dqi n LYS 15 Ca -0.19 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 55.55 1dqi n LYS 15 Cb 0.59 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1dqi n LYS 15 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1dqi n HIS 16 N 0.18 0.00 -2.00 5.58 8.25 -1.26 -4.27 115.22 121.71 1dqi n HIS 16 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1dqi n HIS 16 Cb 0.90 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 1dqi n HIS 16 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dqi s VAL 17 N -1.77 3.27 0.02 1.59 1.01 -1.26 -4.88 120.40 118.38 1dqi s VAL 17 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1dqi s VAL 17 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1dqi s VAL 17 CO 0.00 -0.01 1.29 -2.16 0.00 0.00 0.00 175.10 174.21 1dqi s PRO 18 N 2.86 4.35 -0.16 2.72 0.04 -1.26 -4.57 135.00 138.98 1dqi s PRO 18 Ca 0.72 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 63.43 1dqi s PRO 18 Cb -0.37 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 1dqi s PRO 18 CO 0.31 -0.42 0.47 0.08 0.04 0.00 0.00 177.00 177.48 1dqi s VAL 19 N 1.75 5.17 -0.16 -0.36 1.01 0.37 -4.58 120.40 123.60 1dqi s VAL 19 Ca 0.60 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 1dqi s VAL 19 Cb -0.30 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1dqi s VAL 19 CO 0.27 0.26 0.02 -0.63 0.00 0.00 0.00 175.10 175.02 1dqi s ILE 20 N 1.09 4.42 -0.00 2.22 1.01 -1.26 -1.95 121.20 126.72 1dqi s ILE 20 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 1dqi s ILE 20 Cb -0.15 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1dqi s ILE 20 CO 0.09 0.49 0.04 -1.61 0.00 0.00 0.00 174.94 173.95 1dqi s GLU 21 N 0.21 0.18 0.16 2.79 2.02 -0.33 -4.98 118.70 118.74 1dqi s GLU 21 Ca 0.01 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.77 1dqi s GLU 21 Cb -0.13 0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 1dqi s GLU 21 CO 0.01 -0.03 0.17 1.52 0.02 0.00 0.00 175.26 176.95 1dqi s TYR 22 N -0.57 0.70 -0.04 1.61 -0.85 -1.26 0.31 117.35 117.25 1dqi s TYR 22 Ca -0.06 -1.05 -0.02 0.00 -0.52 0.00 0.00 57.07 55.42 1dqi s TYR 22 Cb -0.04 -0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.03 1dqi s TYR 22 CO -0.00 -0.63 0.07 -2.00 -1.52 0.00 0.00 175.55 171.47 1dqi s GLU 23 N -4.03 -0.04 -0.31 -3.49 2.12 0.23 -4.97 118.70 108.21 1dqi s GLU 23 Ca 0.23 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 55.74 1dqi s GLU 23 Cb 0.05 -0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.04 1dqi s GLU 23 CO 0.03 -0.28 0.54 0.50 -0.54 0.00 0.00 175.26 175.51 1dqi s ARG 24 N 1.89 3.84 -0.41 4.30 3.52 -1.26 -0.65 118.95 130.17 1dqi s ARG 24 Ca 0.01 0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 1dqi s ARG 24 Cb -0.12 -3.74 0.12 0.00 -1.56 0.00 0.00 34.95 29.65 1dqi s ARG 24 CO -0.04 -0.53 0.18 -1.21 -0.81 0.00 0.00 175.30 172.89 1dqi s GLU 25 N 2.43 1.36 7.75 5.12 2.02 0.10 -5.01 118.70 132.47 1dqi s GLU 25 Ca 0.21 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1dqi s GLU 25 Cb -0.15 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1dqi s GLU 25 CO 0.12 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1dqi n GLY 26 N 3.86 3.04 0.65 -1.39 0.00 -1.26 -1.50 105.19 108.59 1dqi n GLY 26 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1dqi n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqi n GLU 27 N 13.06 1.87 -4.23 1.61 0.28 -1.26 -4.89 120.64 127.08 1dqi n GLU 27 Ca 0.00 -1.29 -0.34 0.00 -0.16 0.00 0.00 57.16 55.37 1dqi n GLU 27 Cb 0.00 -1.45 -0.08 0.00 1.43 0.00 0.00 31.44 31.34 1dqi n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dqi s LEU 28 N -1.79 3.73 -0.21 -1.84 1.02 -0.56 -1.67 118.68 117.35 1dqi s LEU 28 Ca 0.35 0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.65 1dqi s LEU 28 Cb 0.20 -2.01 0.05 0.00 0.02 0.00 0.00 46.19 44.44 1dqi s LEU 28 CO 0.30 0.33 -0.09 -0.69 0.02 0.00 0.00 176.35 176.22 1dqi s VAL 29 N -1.03 1.64 -0.32 -1.59 1.01 0.25 0.01 120.40 120.37 1dqi s VAL 29 Ca 0.17 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1dqi s VAL 29 Cb -0.12 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1dqi s VAL 29 CO 0.07 0.12 0.41 -0.54 0.00 0.00 0.00 175.10 175.16 1dqi s LYS 30 N 1.39 3.71 -0.14 2.72 1.02 0.18 -0.50 119.74 128.12 1dqi s LYS 30 Ca -0.02 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1dqi s LYS 30 Cb -0.17 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.36 1dqi s LYS 30 CO -0.08 -0.49 -0.09 0.08 -0.92 0.00 0.00 175.35 173.86 1dqi s VAL 31 N 2.14 3.40 -0.15 3.17 1.01 0.15 -0.60 120.40 129.53 1dqi s VAL 31 Ca 0.15 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1dqi s VAL 31 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1dqi s VAL 31 CO 0.12 0.51 -0.13 -0.75 0.00 0.00 0.00 175.10 174.85 1dqi s LYS 32 N 0.39 3.31 -0.06 2.72 2.20 0.15 -0.69 119.74 127.77 1dqi s LYS 32 Ca -0.08 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 54.86 1dqi s LYS 32 Cb -0.15 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1dqi s LYS 32 CO 0.04 0.07 -0.16 0.08 -0.36 0.00 0.00 175.35 175.02 1dqi s VAL 33 N 0.72 1.37 -0.01 4.02 1.01 0.58 -1.19 120.40 126.90 1dqi s VAL 33 Ca -0.06 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1dqi s VAL 33 Cb -0.15 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1dqi s VAL 33 CO 0.02 0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.81 1dqi s GLN 34 N 0.30 0.64 -0.16 2.72 -2.07 -0.82 0.20 119.66 120.47 1dqi s GLN 34 Ca -0.09 -0.20 -0.03 0.00 -1.82 0.00 0.00 55.36 53.22 1dqi s GLN 34 Cb -0.14 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1dqi s GLN 34 CO 0.03 -0.17 -0.06 0.08 -1.32 0.00 0.00 175.29 173.85 1dqi s VAL 35 N -1.30 3.53 0.00 3.63 1.01 -0.96 -0.48 120.40 125.83 1dqi s VAL 35 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1dqi s VAL 35 Cb -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1dqi s VAL 35 CO 0.04 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dqi n GLY 36 N 3.83 1.44 0.16 4.51 0.00 -1.26 -4.52 105.19 109.35 1dqi n GLY 36 Ca -0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1dqi n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dqi h LYS 37 N 0.00 -0.37 0.05 1.61 1.79 -1.90 -3.22 116.57 114.53 1dqi h LYS 37 Ca 0.00 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1dqi h LYS 37 Cb 0.12 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1dqi h LYS 37 CO 0.00 -0.25 -0.02 1.49 -1.08 0.00 0.00 179.45 179.59 1dqi h GLU 38 N -0.50 -0.07 -4.84 3.15 4.57 -1.87 -3.42 114.58 111.61 1dqi h GLU 38 Ca -0.04 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.47 1dqi h GLU 38 Cb 0.30 0.02 -0.35 0.00 -0.16 0.00 0.00 28.75 28.56 1dqi h GLU 38 CO 0.07 0.53 -0.76 0.42 -1.18 0.00 0.00 179.01 178.09 1dqi s ILE 39 N -3.41 2.56 0.10 2.32 1.01 -1.26 -5.09 121.20 117.43 1dqi s ILE 39 Ca -0.15 -1.47 -0.34 0.00 0.00 0.00 0.00 60.65 58.69 1dqi s ILE 39 Cb 0.00 -2.47 -0.13 0.00 0.01 0.00 0.00 42.46 39.87 1dqi s ILE 39 CO 0.60 -0.03 1.67 -2.65 0.00 0.00 0.00 174.94 174.53 1dqi n PRO 40 N 4.53 2.21 -2.84 2.79 -0.02 -1.22 -4.17 135.00 136.28 1dqi n PRO 40 Ca -0.14 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 1dqi n PRO 40 Cb 0.43 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1dqi n PRO 40 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dqi s HIS 41 N 1.79 3.76 0.65 6.00 2.46 -1.26 -4.98 115.29 123.71 1dqi s HIS 41 Ca 0.82 1.73 -0.18 0.00 0.47 0.00 0.00 55.06 57.91 1dqi s HIS 41 Cb -0.67 -2.87 -0.01 0.00 -0.13 0.00 0.00 32.58 28.90 1dqi s HIS 41 CO 0.41 0.31 1.29 -2.14 -2.47 0.00 0.00 174.74 172.14 1dqi s PRO 42 N -1.79 2.54 -0.47 2.88 0.02 -1.26 -4.97 135.00 131.95 1dqi s PRO 42 Ca 0.46 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.58 1dqi s PRO 42 Cb -0.20 -1.84 0.19 0.00 0.02 0.00 0.00 34.50 32.66 1dqi s PRO 42 CO 0.25 -1.61 0.43 -1.71 -0.33 0.00 0.00 177.00 174.03 1dqi n ASN 43 N -1.94 0.45 -4.64 2.53 2.85 -1.24 -4.28 115.26 109.00 1dqi n ASN 43 Ca 0.16 -2.63 -0.28 0.00 -0.11 0.00 0.00 54.58 51.72 1dqi n ASN 43 Cb 0.48 -0.61 -0.10 0.00 1.24 0.00 0.00 39.78 40.79 1dqi n ASN 43 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1dqi s THR 44 N -0.59 2.01 0.44 -0.44 -4.23 0.08 -4.84 115.64 108.07 1dqi s THR 44 Ca 0.33 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1dqi s THR 44 Cb 0.06 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 71.15 1dqi s THR 44 CO -0.17 0.00 2.03 0.74 -0.54 0.00 0.00 174.62 176.69 1dqi h THR 45 N 1.72 1.10 0.00 3.99 2.02 -1.69 -2.83 112.91 117.22 1dqi h THR 45 Ca -0.44 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.21 1dqi h THR 45 Cb 1.24 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1dqi h THR 45 CO 0.80 0.12 -1.21 -0.33 0.37 0.00 0.00 175.52 175.27 1dqi h GLU 46 N 0.26 0.00 -2.86 6.66 3.07 -1.95 -3.46 114.58 116.30 1dqi h GLU 46 Ca 0.07 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.58 1dqi h GLU 46 Cb 0.12 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 27.66 1dqi h GLU 46 CO -0.00 0.47 -0.66 -1.58 -1.40 0.00 0.00 179.01 175.84 1dqi s HIS 47 N -2.84 -0.13 0.18 4.33 5.04 -1.07 -4.83 115.29 115.97 1dqi s HIS 47 Ca -0.01 0.25 -0.23 0.00 -1.54 0.00 0.00 55.06 53.53 1dqi s HIS 47 Cb 0.08 -0.40 0.06 0.00 0.04 0.00 0.00 32.58 32.36 1dqi s HIS 47 CO 0.80 -0.45 0.69 -3.38 -2.34 0.00 0.00 174.74 170.05 1dqi s HIS 48 N 2.27 -0.39 -0.17 3.88 -3.43 -1.26 -0.74 115.29 115.45 1dqi s HIS 48 Ca 0.04 0.10 -0.23 0.00 -0.80 0.00 0.00 55.06 54.17 1dqi s HIS 48 Cb -0.14 0.61 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 1dqi s HIS 48 CO -0.09 -0.94 0.73 0.42 -2.00 0.00 0.00 174.74 172.86 1dqi s ILE 49 N -3.72 4.96 0.02 -5.38 -1.09 -1.26 -1.31 121.20 113.41 1dqi s ILE 49 Ca 0.05 1.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1dqi s ILE 49 Cb -0.03 -4.04 -0.31 0.00 -1.58 0.00 0.00 42.46 36.51 1dqi s ILE 49 CO -0.05 0.08 0.93 0.03 -1.23 0.00 0.00 174.94 174.70 1dqi h ARG 50 N 7.35 0.36 -2.27 2.79 2.47 -1.21 -3.43 114.38 120.45 1dqi h ARG 50 Ca -0.31 -0.62 0.17 0.00 -1.26 0.00 0.00 59.98 57.96 1dqi h ARG 50 Cb 1.14 0.23 -0.10 0.00 -1.65 0.00 0.00 29.97 29.59 1dqi h ARG 50 CO 0.80 1.26 0.51 1.52 0.56 0.00 0.00 179.97 184.62 1dqi s TYR 51 N -2.62 -0.18 -0.03 3.04 -0.85 -1.25 -0.98 117.35 114.50 1dqi s TYR 51 Ca -0.09 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 1dqi s TYR 51 Cb 0.06 0.61 0.02 0.00 0.38 0.00 0.00 41.96 43.03 1dqi s TYR 51 CO 0.89 -0.72 -0.02 0.42 -1.52 0.00 0.00 175.55 174.59 1dqi s ILE 52 N -3.19 0.29 0.09 -3.49 1.01 -0.47 -2.50 121.20 112.93 1dqi s ILE 52 Ca 0.10 -0.02 0.10 0.00 0.00 0.00 0.00 60.65 60.83 1dqi s ILE 52 Cb -0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1dqi s ILE 52 CO -0.01 0.15 -0.26 -1.61 0.00 0.00 0.00 174.94 173.20 1dqi s GLU 53 N 0.72 1.58 -0.07 2.79 2.02 0.10 -1.15 118.70 124.69 1dqi s GLU 53 Ca -0.08 -1.22 0.05 0.00 0.02 0.00 0.00 54.97 53.75 1dqi s GLU 53 Cb -0.11 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1dqi s GLU 53 CO -0.01 0.47 -0.24 -1.17 0.02 0.00 0.00 175.26 174.34 1dqi s LEU 54 N -1.64 2.14 0.16 1.80 2.96 -0.74 -1.07 118.68 122.28 1dqi s LEU 54 Ca 0.12 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1dqi s LEU 54 Cb -0.10 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1dqi s LEU 54 CO 0.04 0.23 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.82 1dqi s TYR 55 N -0.09 1.78 -0.04 5.38 1.51 0.90 -0.49 117.35 126.31 1dqi s TYR 55 Ca -0.06 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1dqi s TYR 55 Cb -0.14 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1dqi s TYR 55 CO 0.04 0.32 0.05 0.12 -1.11 0.00 0.00 175.55 174.97 1dqi s PHE 56 N -2.12 0.18 -0.38 2.71 5.36 0.49 -0.87 117.98 123.35 1dqi s PHE 56 Ca 0.16 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1dqi s PHE 56 Cb -0.05 -0.52 0.09 0.00 -0.34 0.00 0.00 43.02 42.20 1dqi s PHE 56 CO 0.06 -0.20 0.15 -1.17 -1.46 0.00 0.00 175.22 172.60 1dqi s LEU 57 N 2.01 4.83 0.49 6.12 2.96 -0.27 -1.10 118.68 133.72 1dqi s LEU 57 Ca 0.03 -1.73 -0.24 0.00 -0.22 0.00 0.00 54.13 51.97 1dqi s LEU 57 Cb -0.12 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.68 1dqi s LEU 57 CO -0.03 -0.45 1.38 -2.65 -1.32 0.00 0.00 176.35 173.27 1dqi n PRO 58 N 4.64 1.96 -1.66 0.98 -0.02 -1.26 -1.53 135.00 138.11 1dqi n PRO 58 Ca -0.06 0.71 -0.47 0.00 -2.02 0.00 0.00 63.50 61.66 1dqi n PRO 58 Cb 0.42 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 1dqi n PRO 58 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1dqi n GLU 59 N -0.52 2.01 -0.94 -0.52 2.13 0.80 -1.77 120.64 121.83 1dqi n GLU 59 Ca 0.08 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1dqi n GLU 59 Cb 0.43 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1dqi n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dqi n GLY 60 N 3.21 1.00 3.97 8.31 0.00 -1.26 -5.00 105.19 115.43 1dqi n GLY 60 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1dqi n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dqi s GLU 61 N -0.05 3.16 -0.01 1.61 2.02 -0.73 -5.05 118.70 119.64 1dqi s GLU 61 Ca 0.00 -0.77 0.20 0.00 0.02 0.00 0.00 54.97 54.43 1dqi s GLU 61 Cb 0.00 -2.73 -0.23 0.00 0.10 0.00 0.00 34.13 31.26 1dqi s GLU 61 CO 0.00 -0.00 0.54 0.09 0.02 0.00 0.00 175.26 175.90 1dqi n ASN 62 N -1.77 0.28 -4.21 -0.19 3.02 -1.26 -4.89 115.26 106.24 1dqi n ASN 62 Ca -0.01 0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 1dqi n ASN 62 Cb 0.58 1.23 -0.17 0.00 -0.61 0.00 0.00 39.78 40.81 1dqi n ASN 62 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dqi s PHE 63 N -3.17 2.61 0.44 3.10 0.40 -1.26 -5.11 117.98 114.98 1dqi s PHE 63 Ca -0.06 -1.13 -0.22 0.00 -0.60 0.00 0.00 56.93 54.91 1dqi s PHE 63 Cb 0.11 -1.75 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 1dqi s PHE 63 CO 0.86 -0.48 1.02 0.54 0.70 0.00 0.00 175.22 177.86 1dqi s VAL 64 N 0.51 3.87 -0.07 -0.44 0.11 -1.26 -4.72 120.40 118.40 1dqi s VAL 64 Ca -0.14 1.27 0.03 0.00 -2.93 0.00 0.00 61.98 60.21 1dqi s VAL 64 Cb -0.17 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.08 1dqi s VAL 64 CO 0.05 -0.15 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.21 1dqi s TYR 65 N -1.88 2.70 -0.22 1.54 1.51 -0.26 -4.96 117.35 115.78 1dqi s TYR 65 Ca 0.62 -0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 56.10 1dqi s TYR 65 Cb -0.17 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1dqi s TYR 65 CO 0.22 0.05 0.84 -1.14 -1.11 0.00 0.00 175.55 174.41 1dqi s GLN 66 N -0.41 4.22 -0.03 -0.62 0.74 -1.26 -0.38 119.66 121.91 1dqi s GLN 66 Ca 0.04 0.99 -0.15 0.00 0.05 0.00 0.00 55.36 56.30 1dqi s GLN 66 Cb -0.12 -3.62 -0.32 0.00 1.10 0.00 0.00 33.01 30.04 1dqi s GLN 66 CO 0.02 -0.47 0.78 0.28 -0.55 0.00 0.00 175.29 175.35 1dqi h VAL 67 N 5.36 1.13 -1.88 1.34 2.07 -1.12 -3.48 116.25 119.67 1dqi h VAL 67 Ca -0.24 -2.55 0.30 0.00 0.82 0.00 0.00 66.70 65.02 1dqi h VAL 67 Cb 1.10 2.90 -0.09 0.00 -1.52 0.00 0.00 31.29 33.68 1dqi h VAL 67 CO 0.87 0.80 0.79 -0.83 0.02 0.00 0.00 177.57 179.22 1dqi s GLY 68 N -4.85 -0.24 -0.06 2.17 0.00 -1.13 -5.00 107.32 98.20 1dqi s GLY 68 Ca -0.14 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1dqi s GLY 68 CO 0.87 2.08 0.15 -1.60 0.00 0.00 0.00 173.10 174.59 1dqi s ARG 69 N -2.35 0.10 -0.16 2.90 3.52 -1.26 -1.80 118.95 119.90 1dqi s ARG 69 Ca 0.20 0.36 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1dqi s ARG 69 Cb 0.02 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1dqi s ARG 69 CO -0.01 -0.16 -0.20 0.08 -0.81 0.00 0.00 175.30 174.21 1dqi s VAL 70 N 1.11 1.96 -0.19 7.11 1.01 -0.30 -5.01 120.40 126.10 1dqi s VAL 70 Ca -0.09 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1dqi s VAL 70 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1dqi s VAL 70 CO -0.06 0.53 0.06 -1.61 0.00 0.00 0.00 175.10 174.02 1dqi s GLU 71 N 1.16 3.94 -0.47 2.72 2.02 -1.26 -1.37 118.70 125.44 1dqi s GLU 71 Ca 0.01 -0.36 -0.15 0.00 0.02 0.00 0.00 54.97 54.49 1dqi s GLU 71 Cb -0.14 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 30.95 1dqi s GLU 71 CO -0.09 0.24 0.38 -0.06 0.02 0.00 0.00 175.26 175.76 1dqi s PHE 72 N 0.45 3.25 -1.84 1.61 0.40 -0.15 -4.96 117.98 116.74 1dqi s PHE 72 Ca 0.03 -0.94 0.19 0.00 -0.60 0.00 0.00 56.93 55.61 1dqi s PHE 72 Cb -0.13 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.29 1dqi s PHE 72 CO 0.01 -0.79 0.99 0.25 0.70 0.00 0.00 175.22 176.38 1dqi n THR 73 N 5.18 0.00 -4.11 0.64 -2.24 -1.26 -4.68 114.28 107.81 1dqi n THR 73 Ca -0.12 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 60.99 1dqi n THR 73 Cb 0.44 1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 69.79 1dqi n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dqi s ALA 74 N -2.13 3.09 -0.20 6.98 0.00 -1.26 -4.99 121.76 123.25 1dqi s ALA 74 Ca 0.17 -0.93 0.22 0.00 0.00 0.00 0.00 51.96 51.41 1dqi s ALA 74 Cb 0.16 -1.77 0.48 0.00 0.00 0.00 0.00 23.12 21.99 1dqi s ALA 74 CO 0.46 -0.06 1.14 0.72 0.00 0.00 0.00 175.76 178.02 1dqi n HIS 75 N 4.06 1.04 0.00 0.00 -0.00 -1.24 -0.95 115.22 118.13 1dqi n HIS 75 Ca -0.17 -1.73 0.00 0.00 -0.00 0.00 0.00 57.72 55.82 1dqi n HIS 75 Cb 0.52 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1dqi n HIS 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1dqi n GLY 76 N -0.36 2.57 3.73 -1.41 0.00 -0.75 -1.65 105.19 107.33 1dqi n GLY 76 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1dqi n GLY 76 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqi n GLU 77 N -2.00 2.20 -3.80 1.61 0.00 -1.26 -0.67 120.64 116.72 1dqi n GLU 77 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 57.16 57.89 1dqi n GLU 77 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 31.44 28.92 1dqi n GLU 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1dqi s SER 78 N -0.40 -0.19 0.06 -1.84 1.04 -1.12 -4.44 113.70 106.81 1dqi s SER 78 Ca 0.59 -0.50 0.12 0.00 0.48 0.00 0.00 55.95 56.63 1dqi s SER 78 Cb -0.49 0.58 0.54 0.00 0.10 0.00 0.00 66.02 66.74 1dqi s SER 78 CO 0.60 -1.07 1.38 1.33 0.98 0.00 0.00 173.24 176.45 1dqi n VAL 79 N -0.48 1.27 1.35 5.02 0.24 -1.26 -1.21 118.33 123.26 1dqi n VAL 79 Ca -0.05 0.36 0.13 0.00 -2.04 0.00 0.00 64.34 62.74 1dqi n VAL 79 Cb 0.60 -1.23 0.40 0.00 -1.47 0.00 0.00 33.84 32.14 1dqi n VAL 79 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dqi n ASN 80 N -1.67 1.84 0.00 -1.34 3.02 -1.26 -5.05 115.26 110.80 1dqi n ASN 80 Ca 0.02 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1dqi n ASN 80 Cb 0.12 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1dqi n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dqi n GLY 81 N 1.24 1.65 3.77 7.41 0.00 -0.35 -4.93 105.19 113.97 1dqi n GLY 81 Ca 0.17 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1dqi n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqi s PRO 82 N -1.47 3.80 -1.38 1.61 0.04 -1.26 -2.79 135.00 133.55 1dqi s PRO 82 Ca 0.00 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1dqi s PRO 82 Cb 0.00 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.99 1dqi s PRO 82 CO 0.00 -0.59 1.09 0.09 0.04 0.00 0.00 177.00 177.63 1dqi n ASN 83 N -0.23 -5.20 0.00 6.66 4.13 -1.04 -4.91 115.26 114.67 1dqi n ASN 83 Ca 0.06 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.70 1dqi n ASN 83 Cb 0.45 -4.74 0.00 0.00 -1.54 0.00 0.00 39.78 33.95 1dqi n ASN 83 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1dqi n THR 84 N -4.79 0.00 0.17 3.41 -2.24 0.16 -4.78 114.28 106.20 1dqi n THR 84 Ca -0.04 -0.33 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 1dqi n THR 84 Cb 0.57 1.13 0.13 0.00 -2.10 0.00 0.00 70.33 70.07 1dqi n THR 84 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dqi h SER 85 N 0.00 0.00 -1.84 3.42 4.64 -1.24 -3.47 113.55 115.06 1dqi h SER 85 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1dqi h SER 85 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1dqi h SER 85 CO 0.00 0.35 -0.37 -0.67 -0.87 0.00 0.00 176.83 175.27 1dqi n ASP 86 N -3.23 -4.72 -3.85 4.97 4.64 -1.26 -4.98 116.55 108.12 1dqi n ASP 86 Ca 0.02 0.09 -0.29 0.00 -1.38 0.00 0.00 54.79 53.23 1dqi n ASP 86 Cb 0.64 -3.78 -0.16 0.00 -1.04 0.00 0.00 41.12 36.77 1dqi n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1dqi s VAL 87 N -2.73 1.02 0.00 5.18 1.01 -1.26 -5.06 120.40 118.57 1dqi s VAL 87 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1dqi s VAL 87 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1dqi s VAL 87 CO 0.00 -0.09 -0.09 -0.31 0.00 0.00 0.00 175.10 174.61 1dqi s TYR 88 N 1.64 0.76 -0.28 5.22 1.51 -1.26 -1.80 117.35 123.14 1dqi s TYR 88 Ca -0.02 -0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1dqi s TYR 88 Cb -0.17 -0.48 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1dqi s TYR 88 CO -0.07 -0.01 0.12 0.99 -1.11 0.00 0.00 175.55 175.46 1dqi s THR 89 N -0.34 4.52 0.36 -0.71 2.01 -0.12 -4.96 115.64 116.40 1dqi s THR 89 Ca 0.02 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 1dqi s THR 89 Cb -0.04 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1dqi s THR 89 CO -0.00 0.21 1.07 -1.61 -0.69 0.00 0.00 174.62 173.60 1dqi s GLU 90 N 1.63 4.32 -1.27 4.92 0.41 -1.26 -4.83 118.70 122.61 1dqi s GLU 90 Ca 0.06 1.62 -0.14 0.00 -0.41 0.00 0.00 54.97 56.10 1dqi s GLU 90 Cb -0.16 -2.77 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1dqi s GLU 90 CO 0.05 -0.03 2.31 -0.35 -0.49 0.00 0.00 175.26 176.75 1dqi n PRO 91 N 0.36 2.63 -4.13 0.39 -0.04 -1.26 -4.82 135.00 128.13 1dqi n PRO 91 Ca 0.03 -2.18 -0.29 0.00 -0.04 0.00 0.00 63.50 61.01 1dqi n PRO 91 Cb 0.48 -2.98 -0.17 0.00 -0.04 0.00 0.00 33.50 30.79 1dqi n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dqi s ILE 92 N 3.41 1.51 -0.05 0.52 1.01 -1.26 -2.27 121.20 124.07 1dqi s ILE 92 Ca 0.53 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1dqi s ILE 92 Cb 0.14 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1dqi s ILE 92 CO -0.03 0.45 -0.24 0.00 0.00 0.00 0.00 174.94 175.12 1dqi s ALA 93 N 1.37 2.23 -0.06 9.38 0.00 0.13 -4.99 121.76 129.82 1dqi s ALA 93 Ca 0.02 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.99 1dqi s ALA 93 Cb -0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1dqi s ALA 93 CO -0.08 0.44 -0.23 0.71 0.00 0.00 0.00 175.76 176.60 1dqi s TYR 94 N -0.27 2.31 -0.03 0.00 1.51 -1.26 -0.31 117.35 119.29 1dqi s TYR 94 Ca -0.00 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1dqi s TYR 94 Cb -0.13 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1dqi s TYR 94 CO 0.03 -0.22 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.10 1dqi s PHE 95 N -0.10 1.00 -0.40 2.71 0.40 0.14 -4.99 117.98 116.73 1dqi s PHE 95 Ca -0.05 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1dqi s PHE 95 Cb -0.14 -0.73 0.08 0.00 0.51 0.00 0.00 43.02 42.74 1dqi s PHE 95 CO 0.04 -0.14 0.22 0.08 0.70 0.00 0.00 175.22 176.13 1dqi s VAL 96 N 0.35 3.96 -0.22 -0.44 1.01 -1.26 -0.67 120.40 123.13 1dqi s VAL 96 Ca -0.06 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 1dqi s VAL 96 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1dqi s VAL 96 CO 0.01 -0.49 0.11 -0.22 0.00 0.00 0.00 175.10 174.51 1dqi s LEU 97 N 1.36 3.93 -0.44 3.92 2.96 0.35 -4.93 118.68 125.84 1dqi s LEU 97 Ca 0.03 0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.87 1dqi s LEU 97 Cb -0.23 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.48 1dqi s LEU 97 CO 0.01 0.10 0.33 -0.75 -1.32 0.00 0.00 176.35 174.72 1dqi s LYS 98 N 0.82 2.93 -0.10 1.98 2.20 -1.26 0.87 119.74 127.19 1dqi s LYS 98 Ca 0.06 -1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 54.15 1dqi s LYS 98 Cb -0.13 -4.01 0.10 0.00 -1.51 0.00 0.00 37.83 32.28 1dqi s LYS 98 CO 0.02 -0.89 0.87 -0.08 -0.36 0.00 0.00 175.35 174.92 1dqi s THR 99 N 1.63 0.00 -1.45 3.43 -1.32 -0.67 -5.02 115.64 112.25 1dqi s THR 99 Ca 0.04 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.64 1dqi s THR 99 Cb -0.22 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.86 1dqi s THR 99 CO 0.08 0.00 0.87 0.29 -2.21 0.00 0.00 174.62 173.64 1dqi n LYS 100 N 0.64 0.62 -1.90 7.08 5.02 -1.26 -4.62 118.16 123.74 1dqi n LYS 100 Ca -0.13 -1.19 -0.30 0.00 -2.02 0.00 0.00 58.31 54.66 1dqi n LYS 100 Cb 0.58 -1.22 0.03 0.00 -0.02 0.00 0.00 35.03 34.40 1dqi n LYS 100 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqi s LYS 101 N -0.97 3.21 0.37 1.97 1.02 -1.26 -5.09 119.74 118.99 1dqi s LYS 101 Ca 0.14 0.58 0.09 0.00 0.02 0.00 0.00 55.97 56.79 1dqi s LYS 101 Cb 0.10 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 35.28 1dqi s LYS 101 CO 0.15 -0.80 -0.04 0.15 -0.92 0.00 0.00 175.35 173.88 1dqi s LYS 102 N -5.26 1.90 0.00 1.68 1.02 -1.26 -4.98 119.74 112.85 1dqi s LYS 102 Ca 0.56 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1dqi s LYS 102 Cb -0.11 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1dqi s LYS 102 CO 0.53 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 1dqi n GLY 103 N -0.88 -0.50 3.19 -3.33 0.00 -0.69 -0.14 105.19 102.84 1dqi n GLY 103 Ca -0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1dqi n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dqi s LYS 104 N -1.95 2.14 -0.16 1.61 2.20 -0.58 0.13 119.74 123.13 1dqi s LYS 104 Ca 0.00 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1dqi s LYS 104 Cb 0.00 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1dqi s LYS 104 CO 0.00 0.30 0.02 -0.51 -0.36 0.00 0.00 175.35 174.81 1dqi s LEU 105 N -0.04 3.62 0.03 5.43 1.43 -0.09 -1.12 118.68 127.94 1dqi s LEU 105 Ca -0.04 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1dqi s LEU 105 Cb -0.13 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1dqi s LEU 105 CO 0.03 0.21 -0.24 -0.31 0.23 0.00 0.00 176.35 176.26 1dqi s TYR 106 N 0.16 2.38 -0.05 0.29 1.51 -0.05 -1.35 117.35 120.24 1dqi s TYR 106 Ca 0.02 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1dqi s TYR 106 Cb -0.13 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1dqi s TYR 106 CO 0.01 0.12 -0.23 0.00 -1.11 0.00 0.00 175.55 174.35 1dqi s ALA 107 N -0.79 1.98 -0.12 3.71 0.00 -0.08 -0.07 121.76 126.40 1dqi s ALA 107 Ca 0.12 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1dqi s ALA 107 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1dqi s ALA 107 CO 0.02 0.39 -0.12 -1.17 0.00 0.00 0.00 175.76 174.88 1dqi s LEU 108 N -0.15 1.49 0.14 0.00 2.96 -0.24 -2.18 118.68 120.71 1dqi s LEU 108 Ca -0.02 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1dqi s LEU 108 Cb -0.13 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1dqi s LEU 108 CO 0.03 -0.05 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.87 1dqi s SER 109 N 1.36 2.63 -0.10 3.68 1.04 0.18 0.01 113.70 122.49 1dqi s SER 109 Ca -0.00 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1dqi s SER 109 Cb -0.14 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1dqi s SER 109 CO -0.06 0.00 -0.13 -0.47 0.98 0.00 0.00 173.24 173.56 1dqi s TYR 110 N -1.71 1.72 -0.12 5.02 5.04 -1.04 -0.52 117.35 125.74 1dqi s TYR 110 Ca 0.12 -0.78 -0.08 0.00 -2.44 0.00 0.00 57.07 53.89 1dqi s TYR 110 Cb -0.07 -1.28 -0.04 0.00 0.35 0.00 0.00 41.96 40.91 1dqi s TYR 110 CO 0.06 -0.43 0.17 0.00 -1.34 0.00 0.00 175.55 174.01 1dqi h ASN 112 N 5.22 0.00 0.00 0.00 -1.07 -1.51 -3.12 115.58 115.10 1dqi h ASN 112 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.85 1dqi h ASN 112 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1dqi h ASN 112 CO 0.61 0.02 0.00 2.30 0.07 0.00 0.00 177.43 180.44 1dqi n ILE 113 N -3.44 0.00 -1.04 6.14 -5.35 -1.26 -4.79 119.36 109.62 1dqi n ILE 113 Ca -0.02 -0.37 0.09 0.00 -0.27 0.00 0.00 62.75 62.17 1dqi n ILE 113 Cb 0.13 1.06 0.21 0.00 -1.74 0.00 0.00 39.64 39.30 1dqi n ILE 113 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1dqi n HIS 114 N -0.57 0.60 -4.50 4.28 8.25 -1.20 -5.11 115.22 116.97 1dqi n HIS 114 Ca 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 1dqi n HIS 114 Cb 0.01 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1dqi n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqi n GLY 115 N -0.87 -0.38 3.85 -1.41 0.00 -1.18 -4.79 105.19 100.40 1dqi n GLY 115 Ca 0.20 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1dqi n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqi s LEU 116 N 0.00 4.32 0.04 0.99 1.43 -1.24 -1.42 118.68 122.80 1dqi s LEU 116 Ca 0.00 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1dqi s LEU 116 Cb 0.00 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 1dqi s LEU 116 CO 0.00 0.09 -0.09 0.26 0.23 0.00 0.00 176.35 176.84 1dqi s TRP 117 N -1.49 0.78 0.22 0.29 0.52 0.33 -1.34 118.94 118.24 1dqi s TRP 117 Ca 0.38 -0.42 -0.00 0.00 0.02 0.00 0.00 56.10 56.08 1dqi s TRP 117 Cb -0.14 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.67 1dqi s TRP 117 CO 0.19 -0.04 0.12 -1.83 0.02 0.00 0.00 176.95 175.41 1dqi s GLU 118 N -1.36 1.26 0.03 4.98 -1.05 -0.16 -0.65 118.70 121.74 1dqi s GLU 118 Ca -0.06 -1.67 -0.28 0.00 -0.15 0.00 0.00 54.97 52.81 1dqi s GLU 118 Cb -0.09 0.11 0.09 0.00 -0.44 0.00 0.00 34.13 33.80 1dqi s GLU 118 CO 0.01 -0.36 0.98 1.21 0.95 0.00 0.00 175.26 178.05 1dqi s ASN 119 N -3.20 -0.25 0.14 0.83 3.84 -0.93 -4.53 114.94 110.84 1dqi s ASN 119 Ca 0.38 -0.15 -0.18 0.00 0.21 0.00 0.00 52.86 53.12 1dqi s ASN 119 Cb 0.07 0.37 0.05 0.00 -0.55 0.00 0.00 41.25 41.19 1dqi s ASN 119 CO 0.12 -0.65 0.47 -1.83 -2.79 0.00 0.00 177.10 172.43 1dqi s GLU 120 N -3.04 1.15 -0.01 0.43 -1.05 -1.26 -0.90 118.70 114.01 1dqi s GLU 120 Ca 0.09 -0.64 -0.20 0.00 -0.15 0.00 0.00 54.97 54.07 1dqi s GLU 120 Cb -0.01 0.51 0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1dqi s GLU 120 CO -0.04 -0.47 0.42 0.54 0.95 0.00 0.00 175.26 176.66 1dqi s VAL 121 N -3.79 0.04 -0.06 1.83 0.11 -0.46 -4.98 120.40 113.09 1dqi s VAL 121 Ca 0.03 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.43 1dqi s VAL 121 Cb 0.01 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1dqi s VAL 121 CO -0.12 -0.19 0.97 -0.89 -3.33 0.00 0.00 175.10 171.53 1dqi s THR 122 N -1.46 4.84 -0.48 5.04 2.01 -1.26 -0.91 115.64 123.41 1dqi s THR 122 Ca -0.12 1.99 -0.21 0.00 0.31 0.00 0.00 61.69 63.67 1dqi s THR 122 Cb -0.03 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.23 1dqi s THR 122 CO 0.05 0.09 0.69 -0.22 -0.69 0.00 0.00 174.62 174.54 1dqi s LEU 123 N 1.51 4.61 0.00 4.42 2.96 0.12 -4.92 118.68 127.37 1dqi s LEU 123 Ca 0.49 -0.56 0.24 0.00 -0.22 0.00 0.00 54.13 54.08 1dqi s LEU 123 Cb -0.19 -2.64 0.19 0.00 0.50 0.00 0.00 46.19 44.04 1dqi s LEU 123 CO 0.22 -0.90 1.25 -0.62 -1.32 0.00 0.00 176.35 174.98