#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqk h ILE 2 N 0.00 0.53 -0.01 3.17 2.10 -2.04 -2.25 117.51 119.01 1dqk h ILE 2 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1dqk h ILE 2 Cb 0.00 1.24 -0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1dqk h ILE 2 CO 0.00 0.08 0.11 0.77 -1.08 0.00 0.00 178.15 178.02 1dqk h SER 3 N 0.00 0.00 0.31 2.19 4.64 -2.05 0.27 113.55 118.90 1dqk h SER 3 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqk h SER 3 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1dqk h SER 3 CO 0.01 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 1dqk n GLU 4 N -3.08 0.34 0.00 4.77 0.28 -0.85 -2.27 120.64 119.83 1dqk n GLU 4 Ca -0.02 0.09 0.04 0.00 -0.16 0.00 0.00 57.16 57.10 1dqk n GLU 4 Cb 0.17 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.56 1dqk n GLU 4 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1dqk n THR 5 N -1.24 0.00 -3.69 3.84 -2.24 0.08 -4.96 114.28 106.07 1dqk n THR 5 Ca 0.10 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1dqk n THR 5 Cb 0.14 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 1dqk n THR 5 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dqk s ILE 6 N -0.94 5.18 0.17 2.28 1.01 -0.96 -3.80 121.20 124.14 1dqk s ILE 6 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1dqk s ILE 6 Cb 0.07 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1dqk s ILE 6 CO 0.15 0.34 0.23 -0.13 0.00 0.00 0.00 174.94 175.53 1dqk s ARG 7 N 1.19 3.20 0.34 2.79 0.52 -0.54 -4.93 118.95 121.51 1dqk s ARG 7 Ca 0.07 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.60 1dqk s ARG 7 Cb -0.14 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1dqk s ARG 7 CO 0.05 0.49 0.25 -1.54 0.02 0.00 0.00 175.30 174.58 1dqk s SER 8 N -3.29 1.80 0.00 0.23 1.04 -1.26 -1.16 113.70 111.07 1dqk s SER 8 Ca 0.33 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1dqk s SER 8 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1dqk s SER 8 CO 0.26 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1dqk n GLY 9 N -0.66 -2.07 3.63 7.32 0.00 -1.26 -5.02 105.19 107.13 1dqk n GLY 9 Ca 0.05 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1dqk n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqk s ASP 10 N -2.08 6.52 0.00 1.61 -1.08 -1.26 -4.92 116.67 115.45 1dqk s ASP 10 Ca 0.00 0.62 0.11 0.00 -0.52 0.00 0.00 52.55 52.76 1dqk s ASP 10 Cb 0.00 -2.30 0.64 0.00 -1.46 0.00 0.00 42.92 39.80 1dqk s ASP 10 CO 0.00 -0.28 1.14 -2.67 0.52 0.00 0.00 175.17 173.88 1dqk n TRP 11 N 5.34 0.00 0.47 -5.34 4.27 -1.26 -0.65 117.44 120.27 1dqk n TRP 11 Ca -0.03 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.70 1dqk n TRP 11 Cb 0.50 -0.07 0.23 0.00 -1.36 0.00 0.00 31.31 30.60 1dqk n TRP 11 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1dqk h LYS 12 N 0.00 0.00 0.00 -2.67 6.56 -1.97 -3.37 116.57 115.12 1dqk h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1dqk h LYS 12 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1dqk h LYS 12 CO 0.00 0.00 -0.43 0.41 -2.06 0.00 0.00 179.45 177.37 1dqk n GLY 13 N 1.27 0.17 3.14 3.86 0.00 -0.72 -4.86 105.19 108.04 1dqk n GLY 13 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1dqk n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dqk s GLU 14 N -0.95 2.24 0.66 1.61 2.56 0.18 -4.99 118.70 120.00 1dqk s GLU 14 Ca 0.00 -1.44 0.43 0.00 0.00 0.00 0.00 54.97 53.96 1dqk s GLU 14 Cb 0.00 -3.22 2.36 0.00 2.00 0.00 0.00 34.13 35.27 1dqk s GLU 14 CO 0.00 -0.73 2.35 1.57 -0.56 0.00 0.00 175.26 177.89 1dqk h LYS 15 N 7.94 0.00 0.00 4.30 2.10 -1.83 -2.88 116.57 126.20 1dqk h LYS 15 Ca -0.18 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.36 1dqk h LYS 15 Cb 1.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1dqk h LYS 15 CO 0.55 0.00 -0.64 0.45 -2.00 0.00 0.00 179.45 177.81 1dqk h HIS 16 N 0.00 0.00 -2.35 0.07 3.86 -1.94 -2.79 115.15 112.00 1dqk h HIS 16 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1dqk h HIS 16 Cb 0.03 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.52 1dqk h HIS 16 CO 0.00 0.53 1.25 0.08 0.86 0.00 0.00 177.93 180.65 1dqk s VAL 17 N -2.94 3.02 0.13 2.45 1.01 -1.09 -4.84 120.40 118.13 1dqk s VAL 17 Ca 0.03 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1dqk s VAL 17 Cb 0.08 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 1dqk s VAL 17 CO 0.76 -0.00 1.40 -2.16 0.00 0.00 0.00 175.10 175.10 1dqk s PRO 18 N 4.57 4.31 -0.26 2.72 0.04 -1.26 -4.50 135.00 140.62 1dqk s PRO 18 Ca 0.89 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.94 1dqk s PRO 18 Cb -0.42 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 1dqk s PRO 18 CO 0.41 -0.44 0.16 0.08 0.04 0.00 0.00 177.00 177.25 1dqk s VAL 19 N 1.03 5.21 -0.19 -0.36 1.01 0.88 -4.63 120.40 123.36 1dqk s VAL 19 Ca 0.65 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 1dqk s VAL 19 Cb -0.38 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1dqk s VAL 19 CO 0.31 0.31 0.07 -0.63 0.00 0.00 0.00 175.10 175.16 1dqk s ILE 20 N 1.38 4.86 0.02 2.22 1.01 -1.26 -1.95 121.20 127.47 1dqk s ILE 20 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1dqk s ILE 20 Cb -0.15 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1dqk s ILE 20 CO 0.07 0.45 -0.05 -1.61 0.00 0.00 0.00 174.94 173.80 1dqk s GLU 21 N 0.44 0.38 0.10 2.79 2.02 -0.14 -4.99 118.70 119.29 1dqk s GLU 21 Ca 0.04 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 1dqk s GLU 21 Cb -0.12 -0.21 -0.01 0.00 0.10 0.00 0.00 34.13 33.88 1dqk s GLU 21 CO 0.00 0.04 0.16 1.52 0.02 0.00 0.00 175.26 177.00 1dqk s TYR 22 N -0.81 0.32 -0.06 1.61 -0.85 -1.26 0.38 117.35 116.68 1dqk s TYR 22 Ca -0.06 -0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1dqk s TYR 22 Cb -0.06 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.16 1dqk s TYR 22 CO -0.00 -0.54 0.04 -2.00 -1.52 0.00 0.00 175.55 171.52 1dqk s GLU 23 N -3.91 0.20 -0.19 -3.49 2.12 -0.14 -4.99 118.70 108.31 1dqk s GLU 23 Ca 0.09 0.23 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 1dqk s GLU 23 Cb 0.05 -0.80 -0.03 0.00 0.26 0.00 0.00 34.13 33.61 1dqk s GLU 23 CO -0.08 -0.35 0.54 0.50 -0.54 0.00 0.00 175.26 175.33 1dqk s ARG 24 N 2.09 4.22 -0.44 4.30 3.52 -1.26 -1.17 118.95 130.20 1dqk s ARG 24 Ca 0.05 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1dqk s ARG 24 Cb -0.12 -3.55 0.14 0.00 -1.56 0.00 0.00 34.95 29.86 1dqk s ARG 24 CO -0.04 -0.13 0.27 -1.21 -0.81 0.00 0.00 175.30 173.38 1dqk s GLU 25 N 1.57 1.15 6.75 5.12 2.02 0.20 -5.01 118.70 130.50 1dqk s GLU 25 Ca 0.26 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1dqk s GLU 25 Cb -0.16 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1dqk s GLU 25 CO 0.10 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1dqk n GLY 26 N 3.42 1.09 0.74 -1.39 0.00 -1.26 -2.18 105.19 105.60 1dqk n GLY 26 Ca 0.14 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1dqk n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dqk n GLU 27 N 12.08 1.98 -3.64 1.61 0.28 -1.26 -4.86 120.64 126.83 1dqk n GLU 27 Ca 0.00 -1.46 -0.36 0.00 -0.16 0.00 0.00 57.16 55.18 1dqk n GLU 27 Cb 0.00 -1.44 -0.09 0.00 1.43 0.00 0.00 31.44 31.34 1dqk n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dqk s LEU 28 N -1.66 4.14 -0.27 -1.84 1.02 -0.93 -0.26 118.68 118.88 1dqk s LEU 28 Ca 0.34 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.68 1dqk s LEU 28 Cb 0.20 -2.15 0.05 0.00 0.02 0.00 0.00 46.19 44.30 1dqk s LEU 28 CO 0.29 0.07 -0.07 -0.69 0.02 0.00 0.00 176.35 175.97 1dqk s VAL 29 N 0.95 2.60 -0.34 -1.59 1.01 0.22 0.60 120.40 123.84 1dqk s VAL 29 Ca 0.09 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1dqk s VAL 29 Cb -0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1dqk s VAL 29 CO 0.04 0.04 0.49 -0.54 0.00 0.00 0.00 175.10 175.12 1dqk s LYS 30 N 1.22 3.65 -0.10 2.72 1.02 -0.32 -0.46 119.74 127.47 1dqk s LYS 30 Ca -0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 1dqk s LYS 30 Cb -0.19 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 1dqk s LYS 30 CO -0.04 -0.59 -0.07 0.08 -0.92 0.00 0.00 175.35 173.80 1dqk s VAL 31 N 2.32 3.64 -0.12 3.17 1.01 0.61 -0.97 120.40 130.06 1dqk s VAL 31 Ca 0.18 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1dqk s VAL 31 Cb -0.16 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1dqk s VAL 31 CO 0.13 0.56 -0.22 -0.75 0.00 0.00 0.00 175.10 174.81 1dqk s LYS 32 N -0.29 3.08 -0.04 2.72 2.20 0.16 -0.32 119.74 127.25 1dqk s LYS 32 Ca 0.04 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1dqk s LYS 32 Cb -0.13 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1dqk s LYS 32 CO 0.02 0.10 -0.12 0.08 -0.36 0.00 0.00 175.35 175.08 1dqk s VAL 33 N 0.54 1.03 0.03 4.02 1.01 0.16 -0.97 120.40 126.22 1dqk s VAL 33 Ca -0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1dqk s VAL 33 Cb -0.17 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1dqk s VAL 33 CO 0.04 0.32 0.26 0.00 0.00 0.00 0.00 175.10 175.73 1dqk s GLN 34 N 0.36 0.74 -0.16 2.72 -2.07 -0.82 0.59 119.66 121.02 1dqk s GLN 34 Ca -0.08 -0.49 -0.01 0.00 -1.82 0.00 0.00 55.36 52.96 1dqk s GLN 34 Cb -0.12 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1dqk s GLN 34 CO 0.02 -0.22 -0.11 0.08 -1.32 0.00 0.00 175.29 173.73 1dqk s VAL 35 N -2.33 3.02 0.00 3.63 1.01 -0.89 -0.09 120.40 124.75 1dqk s VAL 35 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1dqk s VAL 35 Cb -0.02 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1dqk s VAL 35 CO -0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1dqk n GLY 36 N 4.06 1.46 0.37 4.51 0.00 -1.06 -4.51 105.19 110.02 1dqk n GLY 36 Ca -0.19 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1dqk n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dqk h LYS 37 N 0.00 -0.86 0.00 1.61 3.11 -1.85 -3.25 116.57 115.32 1dqk h LYS 37 Ca 0.00 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1dqk h LYS 37 Cb 0.16 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1dqk h LYS 37 CO 0.00 -0.54 0.00 0.39 -2.81 0.00 0.00 179.45 176.49 1dqk n GLU 38 N -5.42 0.00 -2.92 1.90 -0.58 -1.26 -4.70 120.64 107.65 1dqk n GLU 38 Ca -0.13 0.30 -0.43 0.00 -0.42 0.00 0.00 57.16 56.48 1dqk n GLU 38 Cb 0.38 -0.78 -0.05 0.00 -0.57 0.00 0.00 31.44 30.41 1dqk n GLU 38 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1dqk s ILE 39 N -0.67 4.50 0.33 -3.67 1.09 -1.26 -5.02 121.20 116.51 1dqk s ILE 39 Ca 0.00 -0.04 -0.28 0.00 -1.10 0.00 0.00 60.65 59.23 1dqk s ILE 39 Cb 0.00 -4.50 -0.12 0.00 -1.06 0.00 0.00 42.46 36.77 1dqk s ILE 39 CO 0.00 -1.10 1.34 -2.65 -0.10 0.00 0.00 174.94 172.44 1dqk n PRO 40 N 7.17 2.21 -3.66 2.79 -0.02 -1.23 -4.25 135.00 138.01 1dqk n PRO 40 Ca -0.01 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1dqk n PRO 40 Cb 0.46 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1dqk n PRO 40 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dqk s HIS 41 N -0.92 3.64 0.78 6.00 2.46 -1.26 -4.97 115.29 121.02 1dqk s HIS 41 Ca 0.57 0.75 -0.14 0.00 0.47 0.00 0.00 55.06 56.71 1dqk s HIS 41 Cb -0.56 -2.11 0.04 0.00 -0.13 0.00 0.00 32.58 29.81 1dqk s HIS 41 CO 0.60 0.64 0.97 -2.30 -2.47 0.00 0.00 174.74 172.18 1dqk n PRO 42 N 1.55 0.26 -3.29 2.88 -0.02 -1.26 -4.99 135.00 130.14 1dqk n PRO 42 Ca -0.14 0.15 -0.23 0.00 -2.02 0.00 0.00 63.50 61.26 1dqk n PRO 42 Cb 0.53 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 1dqk n PRO 42 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1dqk s ASN 43 N -1.87 0.99 0.37 2.55 3.84 -1.23 -4.30 114.94 115.28 1dqk s ASN 43 Ca 0.71 -2.80 0.04 0.00 0.21 0.00 0.00 52.86 51.02 1dqk s ASN 43 Cb -0.31 -0.04 -0.06 0.00 -0.55 0.00 0.00 41.25 40.29 1dqk s ASN 43 CO 0.53 -0.16 0.05 0.42 -2.79 0.00 0.00 177.10 175.15 1dqk s THR 44 N 0.25 1.36 0.52 -5.21 -4.23 0.70 -4.86 115.64 104.18 1dqk s THR 44 Ca 0.32 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 1dqk s THR 44 Cb 0.02 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.35 1dqk s THR 44 CO -0.17 0.00 2.15 0.74 -0.54 0.00 0.00 174.62 176.80 1dqk h THR 45 N 1.95 1.00 0.00 3.99 2.02 -1.71 -2.72 112.91 117.45 1dqk h THR 45 Ca -0.41 -0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.54 1dqk h THR 45 Cb 1.25 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1dqk h THR 45 CO 0.72 0.00 -1.46 -0.33 0.37 0.00 0.00 175.52 174.82 1dqk h GLU 46 N 0.00 0.00 -3.00 6.66 3.07 -1.96 -3.46 114.58 115.89 1dqk h GLU 46 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1dqk h GLU 46 Cb 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 27.56 1dqk h GLU 46 CO 0.00 0.47 -0.62 -1.58 -1.40 0.00 0.00 179.01 175.87 1dqk s HIS 47 N -2.75 -0.21 0.02 4.33 5.04 -1.02 -4.83 115.29 115.87 1dqk s HIS 47 Ca -0.03 0.61 -0.28 0.00 -1.54 0.00 0.00 55.06 53.82 1dqk s HIS 47 Cb 0.08 -0.25 0.10 0.00 0.04 0.00 0.00 32.58 32.55 1dqk s HIS 47 CO 0.81 -0.32 0.90 -3.38 -2.34 0.00 0.00 174.74 170.42 1dqk s HIS 48 N 2.31 -0.31 -0.09 3.88 -3.43 -1.26 -0.21 115.29 116.18 1dqk s HIS 48 Ca 0.03 0.15 -0.25 0.00 -0.80 0.00 0.00 55.06 54.19 1dqk s HIS 48 Cb -0.12 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 1dqk s HIS 48 CO -0.07 -0.59 0.77 0.42 -2.00 0.00 0.00 174.74 173.27 1dqk s ILE 49 N -3.15 4.98 -0.03 -5.38 -1.09 -1.26 -1.85 121.20 113.42 1dqk s ILE 49 Ca 0.06 1.57 -0.14 0.00 -2.23 0.00 0.00 60.65 59.91 1dqk s ILE 49 Cb -0.01 -4.10 -0.32 0.00 -1.58 0.00 0.00 42.46 36.45 1dqk s ILE 49 CO -0.07 0.17 0.78 0.03 -1.23 0.00 0.00 174.94 174.63 1dqk h ARG 50 N 6.95 0.43 -2.24 2.79 2.47 -1.06 -3.43 114.38 120.28 1dqk h ARG 50 Ca -0.38 -0.73 0.19 0.00 -1.26 0.00 0.00 59.98 57.81 1dqk h ARG 50 Cb 1.18 0.27 -0.08 0.00 -1.65 0.00 0.00 29.97 29.69 1dqk h ARG 50 CO 0.78 1.35 0.52 1.52 0.56 0.00 0.00 179.97 184.69 1dqk s TYR 51 N -2.56 -0.12 -0.02 3.04 -0.85 -1.24 -0.90 117.35 114.70 1dqk s TYR 51 Ca -0.14 -0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.25 1dqk s TYR 51 Cb 0.04 0.63 0.02 0.00 0.38 0.00 0.00 41.96 43.03 1dqk s TYR 51 CO 0.88 -0.77 -0.01 0.42 -1.52 0.00 0.00 175.55 174.54 1dqk s ILE 52 N -3.19 0.24 0.06 -3.49 1.01 -0.48 -2.45 121.20 112.89 1dqk s ILE 52 Ca 0.13 -0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.86 1dqk s ILE 52 Cb -0.01 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 1dqk s ILE 52 CO 0.02 0.13 -0.21 -1.61 0.00 0.00 0.00 174.94 173.27 1dqk s GLU 53 N 0.70 1.91 -0.10 2.79 2.02 0.72 -0.84 118.70 125.89 1dqk s GLU 53 Ca -0.07 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.88 1dqk s GLU 53 Cb -0.10 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1dqk s GLU 53 CO -0.01 0.52 -0.20 -1.17 0.02 0.00 0.00 175.26 174.42 1dqk s LEU 54 N -1.55 1.95 0.24 1.80 2.96 -0.43 -1.01 118.68 122.64 1dqk s LEU 54 Ca 0.14 -0.50 0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1dqk s LEU 54 Cb -0.10 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 1dqk s LEU 54 CO 0.05 0.10 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.66 1dqk s TYR 55 N 0.58 2.30 -0.06 5.38 1.51 0.27 0.33 117.35 127.67 1dqk s TYR 55 Ca -0.14 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1dqk s TYR 55 Cb -0.17 -1.05 0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1dqk s TYR 55 CO 0.04 0.63 0.10 0.12 -1.11 0.00 0.00 175.55 175.33 1dqk s PHE 56 N -2.17 -0.03 -0.39 2.71 5.36 0.46 -1.00 117.98 122.91 1dqk s PHE 56 Ca 0.26 0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1dqk s PHE 56 Cb -0.06 -0.40 0.07 0.00 -0.34 0.00 0.00 43.02 42.29 1dqk s PHE 56 CO 0.13 -0.22 0.19 -1.17 -1.46 0.00 0.00 175.22 172.69 1dqk s LEU 57 N 2.22 4.88 0.58 6.12 2.96 -0.27 -1.11 118.68 134.06 1dqk s LEU 57 Ca 0.04 -1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 52.26 1dqk s LEU 57 Cb -0.12 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1dqk s LEU 57 CO -0.04 -0.47 1.31 -2.84 -1.32 0.00 0.00 176.35 172.99 1dqk s PRO 58 N 1.36 2.95 0.01 0.98 0.02 -1.26 -1.46 135.00 137.60 1dqk s PRO 58 Ca 0.02 2.11 -0.35 0.00 0.02 0.00 0.00 61.00 62.80 1dqk s PRO 58 Cb -0.22 -2.09 -0.13 0.00 0.02 0.00 0.00 34.50 32.08 1dqk s PRO 58 CO 0.01 -1.30 1.71 -1.91 -0.33 0.00 0.00 177.00 175.18 1dqk n GLU 59 N -1.36 2.02 -0.86 5.54 2.13 0.85 -1.89 120.64 127.06 1dqk n GLU 59 Ca 0.12 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1dqk n GLU 59 Cb 0.47 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1dqk n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dqk n GLY 60 N 3.85 1.16 3.95 8.31 0.00 -1.26 -5.00 105.19 116.22 1dqk n GLY 60 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1dqk n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dqk s GLU 61 N -0.04 3.38 0.01 1.61 2.02 -0.79 -5.04 118.70 119.84 1dqk s GLU 61 Ca 0.00 -0.51 0.22 0.00 0.02 0.00 0.00 54.97 54.70 1dqk s GLU 61 Cb 0.00 -2.71 -0.14 0.00 0.10 0.00 0.00 34.13 31.38 1dqk s GLU 61 CO 0.00 0.14 0.85 0.09 0.02 0.00 0.00 175.26 176.36 1dqk n ASN 62 N -1.74 0.60 -4.06 -0.19 3.02 -1.26 -4.86 115.26 106.77 1dqk n ASN 62 Ca -0.04 -0.44 -0.31 0.00 -0.03 0.00 0.00 54.58 53.76 1dqk n ASN 62 Cb 0.57 1.16 -0.16 0.00 -0.61 0.00 0.00 39.78 40.73 1dqk n ASN 62 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dqk s PHE 63 N -3.20 2.35 0.42 3.10 0.40 -1.26 -5.11 117.98 114.68 1dqk s PHE 63 Ca 0.02 -1.32 -0.24 0.00 -0.60 0.00 0.00 56.93 54.80 1dqk s PHE 63 Cb 0.15 -1.68 -0.08 0.00 0.51 0.00 0.00 43.02 41.92 1dqk s PHE 63 CO 0.85 -0.69 1.14 0.54 0.70 0.00 0.00 175.22 177.76 1dqk s VAL 64 N 1.34 3.28 -0.07 -0.44 0.11 -1.26 -4.73 120.40 118.63 1dqk s VAL 64 Ca 0.03 1.01 0.02 0.00 -2.93 0.00 0.00 61.98 60.11 1dqk s VAL 64 Cb -0.13 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1dqk s VAL 64 CO -0.10 0.03 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.28 1dqk s TYR 65 N -1.52 2.79 -0.18 1.54 1.51 -0.26 -4.95 117.35 116.28 1dqk s TYR 65 Ca 0.60 -0.15 -0.26 0.00 -1.01 0.00 0.00 57.07 56.25 1dqk s TYR 65 Cb -0.28 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1dqk s TYR 65 CO 0.34 0.19 0.86 -1.14 -1.11 0.00 0.00 175.55 174.70 1dqk s GLN 66 N -0.63 4.29 -0.02 -0.62 0.74 -1.26 -0.41 119.66 121.76 1dqk s GLN 66 Ca 0.09 1.06 -0.07 0.00 0.05 0.00 0.00 55.36 56.50 1dqk s GLN 66 Cb -0.11 -3.59 -0.29 0.00 1.10 0.00 0.00 33.01 30.12 1dqk s GLN 66 CO 0.01 -0.38 0.79 0.28 -0.55 0.00 0.00 175.29 175.45 1dqk h VAL 67 N 5.24 1.07 -1.39 1.34 2.07 -0.45 -3.48 116.25 120.65 1dqk h VAL 67 Ca -0.28 -2.68 0.40 0.00 0.82 0.00 0.00 66.70 64.96 1dqk h VAL 67 Cb 1.12 2.78 -0.12 0.00 -1.52 0.00 0.00 31.29 33.55 1dqk h VAL 67 CO 0.85 0.83 0.99 -0.83 0.02 0.00 0.00 177.57 179.44 1dqk s GLY 68 N -5.00 -0.40 -0.09 2.17 0.00 -1.05 -5.00 107.32 97.96 1dqk s GLY 68 Ca -0.12 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 1dqk s GLY 68 CO 0.86 2.57 0.20 -1.60 0.00 0.00 0.00 173.10 175.13 1dqk s ARG 69 N -2.03 0.17 -0.18 2.90 3.52 -1.26 -1.31 118.95 120.76 1dqk s ARG 69 Ca 0.21 0.43 0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1dqk s ARG 69 Cb 0.05 -0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1dqk s ARG 69 CO -0.05 -0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.18 1dqk s VAL 70 N 1.02 2.04 -0.20 7.11 1.01 -0.02 -5.00 120.40 126.36 1dqk s VAL 70 Ca -0.08 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1dqk s VAL 70 Cb -0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1dqk s VAL 70 CO -0.06 0.53 0.09 -1.61 0.00 0.00 0.00 175.10 174.05 1dqk s GLU 71 N 1.30 4.02 -0.50 2.72 2.02 -1.26 -1.38 118.70 125.62 1dqk s GLU 71 Ca 0.05 -0.31 -0.16 0.00 0.02 0.00 0.00 54.97 54.57 1dqk s GLU 71 Cb -0.13 -3.31 0.09 0.00 0.10 0.00 0.00 34.13 30.88 1dqk s GLU 71 CO -0.13 0.23 0.46 -0.06 0.02 0.00 0.00 175.26 175.78 1dqk s PHE 72 N 0.52 3.23 -1.95 1.61 0.40 -0.07 -4.95 117.98 116.76 1dqk s PHE 72 Ca 0.05 -1.04 0.23 0.00 -0.60 0.00 0.00 56.93 55.57 1dqk s PHE 72 Cb -0.12 -3.45 0.04 0.00 0.51 0.00 0.00 43.02 40.00 1dqk s PHE 72 CO 0.00 -0.91 1.12 0.25 0.70 0.00 0.00 175.22 176.38 1dqk n THR 73 N 5.26 0.00 -4.29 0.64 -2.24 -1.26 -4.68 114.28 107.71 1dqk n THR 73 Ca -0.13 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 1dqk n THR 73 Cb 0.42 1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 1dqk n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dqk s ALA 74 N -2.51 2.94 -0.23 6.98 0.00 -1.26 -5.00 121.76 122.68 1dqk s ALA 74 Ca 0.18 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.44 1dqk s ALA 74 Cb 0.18 -1.60 0.50 0.00 0.00 0.00 0.00 23.12 22.20 1dqk s ALA 74 CO 0.59 0.03 1.12 0.72 0.00 0.00 0.00 175.76 178.22 1dqk n HIS 75 N 3.90 1.23 0.00 0.00 -0.00 -1.24 -0.81 115.22 118.31 1dqk n HIS 75 Ca -0.17 -1.96 0.00 0.00 -0.00 0.00 0.00 57.72 55.59 1dqk n HIS 75 Cb 0.52 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 1dqk n HIS 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1dqk n GLY 76 N -0.49 2.39 3.77 -1.41 0.00 -0.77 -1.72 105.19 106.96 1dqk n GLY 76 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1dqk n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dqk s GLU 77 N -0.28 4.03 0.29 1.61 1.03 -1.26 0.06 118.70 124.18 1dqk s GLU 77 Ca 0.00 2.30 -0.18 0.00 0.03 0.00 0.00 54.97 57.11 1dqk s GLU 77 Cb 0.00 -2.85 0.02 0.00 -0.80 0.00 0.00 34.13 30.50 1dqk s GLU 77 CO 0.00 -0.49 0.68 -1.54 -1.33 0.00 0.00 175.26 172.58 1dqk s SER 78 N -0.52 -0.17 0.37 0.83 1.04 -1.07 -4.50 113.70 109.68 1dqk s SER 78 Ca 0.55 -0.76 0.26 0.00 0.48 0.00 0.00 55.95 56.48 1dqk s SER 78 Cb -0.41 0.72 1.32 0.00 0.10 0.00 0.00 66.02 67.75 1dqk s SER 78 CO 0.54 -1.36 1.80 -0.37 0.98 0.00 0.00 173.24 174.82 1dqk h VAL 79 N 2.04 0.00 -0.31 5.02 -1.51 -1.98 -0.64 116.25 118.87 1dqk h VAL 79 Ca -0.22 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1dqk h VAL 79 Cb 1.25 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1dqk h VAL 79 CO 0.28 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.21 1dqk n ASN 80 N -2.43 2.08 0.00 4.19 3.02 -1.26 -5.04 115.26 115.82 1dqk n ASN 80 Ca -0.01 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1dqk n ASN 80 Cb 0.11 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1dqk n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dqk n GLY 81 N 1.17 1.75 3.76 7.41 0.00 -0.25 -4.92 105.19 114.12 1dqk n GLY 81 Ca 0.15 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 1dqk n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqk s PRO 82 N -1.68 3.64 -1.33 1.61 0.04 -1.26 -2.60 135.00 133.42 1dqk s PRO 82 Ca 0.00 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 1dqk s PRO 82 Cb 0.00 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1dqk s PRO 82 CO 0.00 -0.73 0.88 0.09 0.04 0.00 0.00 177.00 177.28 1dqk n ASN 83 N -0.44 -2.63 0.00 6.66 5.03 -0.96 -4.90 115.26 118.02 1dqk n ASN 83 Ca 0.07 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.79 1dqk n ASN 83 Cb 0.45 -4.39 0.00 0.00 -1.02 0.00 0.00 39.78 34.82 1dqk n ASN 83 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1dqk n THR 84 N -4.40 0.00 0.21 3.41 -2.24 0.11 -4.80 114.28 106.57 1dqk n THR 84 Ca -0.20 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1dqk n THR 84 Cb 0.64 1.07 0.22 0.00 -2.10 0.00 0.00 70.33 70.16 1dqk n THR 84 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dqk h SER 85 N 0.00 0.00 -1.31 3.42 4.64 -1.28 -3.47 113.55 115.56 1dqk h SER 85 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1dqk h SER 85 Cb 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.03 1dqk h SER 85 CO 0.00 0.11 -0.34 -0.67 -0.87 0.00 0.00 176.83 175.05 1dqk n ASP 86 N -3.14 -4.92 -3.93 4.97 4.64 -1.26 -4.97 116.55 107.93 1dqk n ASP 86 Ca 0.03 0.26 -0.30 0.00 -1.38 0.00 0.00 54.79 53.40 1dqk n ASP 86 Cb 0.54 -3.92 -0.15 0.00 -1.04 0.00 0.00 41.12 36.54 1dqk n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1dqk s VAL 87 N -2.68 1.54 0.00 5.18 1.01 -1.26 -5.05 120.40 119.14 1dqk s VAL 87 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1dqk s VAL 87 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1dqk s VAL 87 CO 0.00 -0.18 -0.14 -0.31 0.00 0.00 0.00 175.10 174.48 1dqk s TYR 88 N 1.38 1.23 -0.31 5.22 1.51 -1.26 -1.84 117.35 123.28 1dqk s TYR 88 Ca -0.04 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1dqk s TYR 88 Cb -0.19 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1dqk s TYR 88 CO -0.08 -0.01 0.13 0.99 -1.11 0.00 0.00 175.55 175.48 1dqk s THR 89 N -0.45 4.34 0.37 -0.71 2.01 0.01 -4.96 115.64 116.26 1dqk s THR 89 Ca 0.04 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.19 1dqk s THR 89 Cb -0.06 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1dqk s THR 89 CO -0.00 0.03 1.14 -1.61 -0.69 0.00 0.00 174.62 173.49 1dqk s GLU 90 N 1.56 4.20 -0.97 4.92 0.41 -1.26 -4.82 118.70 122.73 1dqk s GLU 90 Ca 0.03 1.79 -0.06 0.00 -0.41 0.00 0.00 54.97 56.32 1dqk s GLU 90 Cb -0.17 -2.77 -0.06 0.00 -1.78 0.00 0.00 34.13 29.35 1dqk s GLU 90 CO 0.05 -0.18 2.27 -0.35 -0.49 0.00 0.00 175.26 176.56 1dqk n PRO 91 N 0.29 2.29 -4.01 0.39 -0.04 -1.26 -4.81 135.00 127.85 1dqk n PRO 91 Ca 0.03 -1.52 -0.30 0.00 -0.04 0.00 0.00 63.50 61.67 1dqk n PRO 91 Cb 0.46 -2.47 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 1dqk n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dqk s ILE 92 N 3.11 1.62 -0.06 0.52 1.01 -1.26 -2.10 121.20 124.03 1dqk s ILE 92 Ca 0.44 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1dqk s ILE 92 Cb 0.12 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1dqk s ILE 92 CO -0.04 0.33 -0.20 0.00 0.00 0.00 0.00 174.94 175.03 1dqk s ALA 93 N 1.44 2.37 -0.05 9.38 0.00 0.20 -4.98 121.76 130.11 1dqk s ALA 93 Ca 0.02 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1dqk s ALA 93 Cb -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1dqk s ALA 93 CO -0.10 0.45 -0.22 0.71 0.00 0.00 0.00 175.76 176.61 1dqk s TYR 94 N -0.33 2.17 -0.05 0.00 1.51 -1.26 0.35 117.35 119.74 1dqk s TYR 94 Ca 0.02 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1dqk s TYR 94 Cb -0.13 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1dqk s TYR 94 CO 0.02 -0.21 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.08 1dqk s PHE 95 N -0.06 1.28 -0.39 2.71 0.40 0.57 -4.99 117.98 117.49 1dqk s PHE 95 Ca -0.04 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1dqk s PHE 95 Cb -0.13 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.52 1dqk s PHE 95 CO 0.03 -0.21 0.22 0.08 0.70 0.00 0.00 175.22 176.04 1dqk s VAL 96 N 0.53 4.25 -0.17 -0.44 1.01 -1.26 -0.29 120.40 124.04 1dqk s VAL 96 Ca -0.11 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 1dqk s VAL 96 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1dqk s VAL 96 CO 0.02 -0.37 0.05 -0.22 0.00 0.00 0.00 175.10 174.59 1dqk s LEU 97 N 1.46 3.78 -0.40 3.92 2.96 0.39 -4.95 118.68 125.84 1dqk s LEU 97 Ca 0.02 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 1dqk s LEU 97 Cb -0.21 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.58 1dqk s LEU 97 CO 0.04 0.21 0.24 -0.75 -1.32 0.00 0.00 176.35 174.76 1dqk s LYS 98 N 0.15 2.77 -0.05 1.98 2.20 -1.26 0.71 119.74 126.23 1dqk s LYS 98 Ca 0.04 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 1dqk s LYS 98 Cb -0.12 -3.78 0.10 0.00 -1.51 0.00 0.00 37.83 32.51 1dqk s LYS 98 CO 0.01 -0.80 0.84 -0.08 -0.36 0.00 0.00 175.35 174.96 1dqk s THR 99 N 1.53 0.00 -0.99 3.43 -1.32 0.63 -5.01 115.64 113.91 1dqk s THR 99 Ca 0.02 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.59 1dqk s THR 99 Cb -0.21 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.87 1dqk s THR 99 CO 0.05 0.00 0.82 0.29 -2.21 0.00 0.00 174.62 173.58 1dqk n LYS 100 N 0.38 0.54 -2.14 7.08 5.02 -1.26 -4.49 118.16 123.29 1dqk n LYS 100 Ca -0.13 -1.13 -0.28 0.00 -2.02 0.00 0.00 58.31 54.76 1dqk n LYS 100 Cb 0.60 -1.17 0.05 0.00 -0.02 0.00 0.00 35.03 34.49 1dqk n LYS 100 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqk s LYS 101 N -0.74 2.71 0.38 1.97 1.02 -1.26 -5.10 119.74 118.73 1dqk s LYS 101 Ca 0.11 0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.32 1dqk s LYS 101 Cb 0.07 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 1dqk s LYS 101 CO 0.11 -0.97 -0.04 0.15 -0.92 0.00 0.00 175.35 173.68 1dqk s LYS 102 N -5.21 1.90 0.00 1.68 1.02 -1.26 -4.99 119.74 112.88 1dqk s LYS 102 Ca 0.57 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1dqk s LYS 102 Cb -0.11 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1dqk s LYS 102 CO 0.48 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1dqk n GLY 103 N -0.89 -0.54 3.11 -3.33 0.00 -0.86 -0.11 105.19 102.58 1dqk n GLY 103 Ca -0.05 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 1dqk n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dqk s LYS 104 N -1.82 2.07 -0.14 1.61 2.20 -0.53 0.33 119.74 123.46 1dqk s LYS 104 Ca 0.00 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1dqk s LYS 104 Cb 0.00 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 1dqk s LYS 104 CO 0.00 0.15 0.09 -0.51 -0.36 0.00 0.00 175.35 174.71 1dqk s LEU 105 N 0.35 4.03 0.06 5.43 1.43 0.10 -1.11 118.68 128.97 1dqk s LEU 105 Ca -0.12 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1dqk s LEU 105 Cb -0.15 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1dqk s LEU 105 CO 0.04 0.32 -0.24 -0.31 0.23 0.00 0.00 176.35 176.40 1dqk s TYR 106 N -0.49 2.06 -0.06 0.29 1.51 -0.17 -1.20 117.35 119.29 1dqk s TYR 106 Ca 0.11 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1dqk s TYR 106 Cb -0.12 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1dqk s TYR 106 CO 0.02 0.14 -0.22 0.00 -1.11 0.00 0.00 175.55 174.39 1dqk s ALA 107 N -0.86 1.91 -0.12 3.71 0.00 0.18 -0.57 121.76 126.01 1dqk s ALA 107 Ca 0.10 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1dqk s ALA 107 Cb -0.09 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1dqk s ALA 107 CO 0.03 0.35 -0.14 -1.17 0.00 0.00 0.00 175.76 174.82 1dqk s LEU 108 N -0.03 1.66 0.16 0.00 2.96 -0.18 -2.23 118.68 121.01 1dqk s LEU 108 Ca -0.05 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1dqk s LEU 108 Cb -0.13 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1dqk s LEU 108 CO 0.04 -0.01 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.94 1dqk s SER 109 N 1.17 2.50 -0.06 3.68 1.04 0.64 -0.20 113.70 122.47 1dqk s SER 109 Ca -0.03 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.54 1dqk s SER 109 Cb -0.14 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1dqk s SER 109 CO -0.04 -0.08 -0.08 -0.47 0.98 0.00 0.00 173.24 173.55 1dqk s TYR 110 N -2.22 1.07 -0.11 5.02 5.04 -1.03 -0.36 117.35 124.75 1dqk s TYR 110 Ca 0.15 -0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 54.36 1dqk s TYR 110 Cb -0.05 -0.86 -0.04 0.00 0.35 0.00 0.00 41.96 41.37 1dqk s TYR 110 CO 0.06 -0.25 0.12 0.00 -1.34 0.00 0.00 175.55 174.14 1dqk h ASN 112 N 4.96 0.00 0.00 0.00 -1.07 -1.69 -3.15 115.58 114.64 1dqk h ASN 112 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.83 1dqk h ASN 112 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1dqk h ASN 112 CO 0.58 0.00 -0.10 2.30 0.07 0.00 0.00 177.43 180.27 1dqk n ILE 113 N -2.76 0.00 -1.02 6.14 -5.35 -1.26 -4.81 119.36 110.29 1dqk n ILE 113 Ca -0.01 -0.25 0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1dqk n ILE 113 Cb 0.14 0.88 0.26 0.00 -1.74 0.00 0.00 39.64 39.18 1dqk n ILE 113 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1dqk n HIS 114 N -0.65 0.99 -4.68 4.28 8.25 -1.22 -5.10 115.22 117.10 1dqk n HIS 114 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 1dqk n HIS 114 Cb 0.00 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1dqk n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqk n GLY 115 N -0.53 0.14 3.83 -1.41 0.00 -1.19 -4.77 105.19 101.25 1dqk n GLY 115 Ca 0.23 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1dqk n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqk s LEU 116 N 0.00 4.27 0.03 0.99 1.43 -1.25 -1.62 118.68 122.54 1dqk s LEU 116 Ca 0.00 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1dqk s LEU 116 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1dqk s LEU 116 CO 0.00 -0.00 -0.06 0.26 0.23 0.00 0.00 176.35 176.78 1dqk s TRP 117 N -1.62 0.49 0.15 0.29 0.52 0.51 -1.47 118.94 117.82 1dqk s TRP 117 Ca 0.44 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 1dqk s TRP 117 Cb -0.14 -0.31 -0.04 0.00 -1.15 0.00 0.00 33.47 31.83 1dqk s TRP 117 CO 0.20 -0.11 0.08 -1.83 0.02 0.00 0.00 176.95 175.30 1dqk s GLU 118 N -1.39 1.01 0.02 4.98 -1.05 -0.30 -0.26 118.70 121.71 1dqk s GLU 118 Ca -0.11 -1.50 -0.28 0.00 -0.15 0.00 0.00 54.97 52.93 1dqk s GLU 118 Cb -0.09 0.25 0.10 0.00 -0.44 0.00 0.00 34.13 33.95 1dqk s GLU 118 CO -0.00 -0.30 0.91 1.21 0.95 0.00 0.00 175.26 178.03 1dqk s ASN 119 N -3.08 -0.32 0.14 0.83 2.47 -0.95 -4.50 114.94 109.53 1dqk s ASN 119 Ca 0.29 -0.08 -0.15 0.00 0.42 0.00 0.00 52.86 53.34 1dqk s ASN 119 Cb 0.07 0.40 0.03 0.00 -1.45 0.00 0.00 41.25 40.30 1dqk s ASN 119 CO 0.05 -0.67 0.39 -1.83 -3.72 0.00 0.00 177.10 171.32 1dqk s GLU 120 N -3.14 1.10 0.02 0.43 -1.05 -1.26 -0.65 118.70 114.16 1dqk s GLU 120 Ca 0.07 -0.79 -0.17 0.00 -0.15 0.00 0.00 54.97 53.92 1dqk s GLU 120 Cb -0.01 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 1dqk s GLU 120 CO -0.07 -0.43 0.36 0.54 0.95 0.00 0.00 175.26 176.62 1dqk s VAL 121 N -3.83 0.06 0.06 1.83 0.11 -0.34 -5.00 120.40 113.29 1dqk s VAL 121 Ca 0.05 -0.50 -0.28 0.00 -2.93 0.00 0.00 61.98 58.32 1dqk s VAL 121 Cb 0.02 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1dqk s VAL 121 CO -0.10 -0.27 0.90 -0.89 -3.33 0.00 0.00 175.10 171.41 1dqk s THR 122 N -2.01 4.66 -0.49 5.04 2.01 -1.26 -0.72 115.64 122.87 1dqk s THR 122 Ca -0.08 1.92 -0.17 0.00 0.31 0.00 0.00 61.69 63.66 1dqk s THR 122 Cb -0.02 -4.25 0.06 0.00 0.01 0.00 0.00 72.50 68.30 1dqk s THR 122 CO 0.01 0.30 0.52 -0.22 -0.69 0.00 0.00 174.62 174.53 1dqk s LEU 123 N 0.21 5.24 0.00 4.42 2.96 0.15 -4.89 118.68 126.77 1dqk s LEU 123 Ca 0.45 -1.07 0.31 0.00 -0.22 0.00 0.00 54.13 53.59 1dqk s LEU 123 Cb -0.22 -2.33 1.83 0.00 0.50 0.00 0.00 46.19 45.97 1dqk s LEU 123 CO 0.27 -0.77 2.16 -0.62 -1.32 0.00 0.00 176.35 176.07