#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqo n ALA 3 N 0.00 2.54 0.63 2.24 0.00 -1.26 -4.25 120.51 120.41 1dqo n ALA 3 Ca 0.00 -0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.08 1dqo n ALA 3 Cb 0.00 -0.55 0.43 0.00 0.00 0.00 0.00 19.45 19.34 1dqo n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dqo n ARG 4 N -2.16 0.23 -2.58 0.00 1.74 -1.26 -4.86 116.66 107.77 1dqo n ARG 4 Ca -0.06 0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 1dqo n ARG 4 Cb 0.52 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1dqo n ARG 4 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dqo s GLN 5 N -3.12 4.52 0.22 5.56 -0.21 -1.26 -4.51 119.66 120.85 1dqo s GLN 5 Ca 0.10 1.61 -0.18 0.00 0.02 0.00 0.00 55.36 56.91 1dqo s GLN 5 Cb 0.13 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1dqo s GLN 5 CO 0.56 0.16 0.56 -0.59 -2.12 0.00 0.00 175.29 173.86 1dqo s PHE 6 N -1.38 -0.09 -0.05 0.91 -0.12 -0.06 -4.96 117.98 112.24 1dqo s PHE 6 Ca 0.49 -0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 57.08 1dqo s PHE 6 Cb -0.26 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1dqo s PHE 6 CO 0.33 -0.99 0.05 -0.51 -0.05 0.00 0.00 175.22 174.05 1dqo s LEU 7 N -2.90 3.78 -0.38 -1.99 1.02 -1.26 -1.28 118.68 115.67 1dqo s LEU 7 Ca 0.11 0.16 -0.15 0.00 0.02 0.00 0.00 54.13 54.26 1dqo s LEU 7 Cb -0.02 -2.04 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1dqo s LEU 7 CO 0.00 0.33 0.36 -0.63 0.02 0.00 0.00 176.35 176.43 1dqo s ILE 8 N -1.04 5.18 -0.09 -0.59 1.01 -1.26 -0.86 121.20 123.54 1dqo s ILE 8 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1dqo s ILE 8 Cb -0.12 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1dqo s ILE 8 CO 0.08 -0.23 -0.10 -0.47 0.00 0.00 0.00 174.94 174.22 1dqo s TYR 9 N 1.95 2.87 -0.29 3.97 5.04 0.16 -1.18 117.35 129.86 1dqo s TYR 9 Ca 0.10 -0.24 -0.05 0.00 -2.44 0.00 0.00 57.07 54.44 1dqo s TYR 9 Cb -0.17 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.39 1dqo s TYR 9 CO 0.12 0.10 0.04 1.21 -1.34 0.00 0.00 175.55 175.68 1dqo s ASN 10 N -0.30 4.93 0.19 4.32 3.84 -0.21 -0.53 114.94 127.19 1dqo s ASN 10 Ca 0.03 -0.89 -0.12 0.00 0.21 0.00 0.00 52.86 52.09 1dqo s ASN 10 Cb -0.13 -1.80 0.16 0.00 -0.55 0.00 0.00 41.25 38.93 1dqo s ASN 10 CO 0.03 -0.21 1.79 -0.08 -2.79 0.00 0.00 177.10 175.84 1dqo h GLU 11 N 8.15 0.52 -0.48 0.43 4.81 -1.86 0.17 114.58 126.32 1dqo h GLU 11 Ca -0.29 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1dqo h GLU 11 Cb 1.11 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1dqo h GLU 11 CO 0.59 0.35 0.29 0.22 -0.73 0.00 0.00 179.01 179.72 1dqo h ASP 12 N 0.54 0.48 1.00 1.04 3.58 -1.92 -2.84 116.42 118.30 1dqo h ASP 12 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1dqo h ASP 12 Cb 0.14 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1dqo h ASP 12 CO -0.16 0.34 -0.65 0.45 -2.88 0.00 0.00 179.24 176.34 1dqo h HIS 13 N 0.58 0.00 -5.36 0.28 3.86 -1.91 -3.48 115.15 109.13 1dqo h HIS 13 Ca 0.19 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.06 1dqo h HIS 13 Cb -0.00 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.61 1dqo h HIS 13 CO -0.06 0.00 -0.65 1.63 0.86 0.00 0.00 177.93 179.71 1dqo n LYS 14 N -2.32 -6.73 -4.13 2.45 5.02 0.59 -5.01 118.16 108.03 1dqo n LYS 14 Ca 0.03 0.76 -0.11 0.00 -2.02 0.00 0.00 58.31 56.97 1dqo n LYS 14 Cb 0.47 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 29.81 1dqo n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1dqo s ARG 15 N -5.79 0.72 0.10 1.97 0.52 -1.10 -4.58 118.95 110.79 1dqo s ARG 15 Ca 0.31 -1.14 0.09 0.00 -0.52 0.00 0.00 55.73 54.46 1dqo s ARG 15 Cb -0.14 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 1dqo s ARG 15 CO 0.66 -0.00 -0.19 0.00 0.02 0.00 0.00 175.30 175.79 1dqo s VAL 17 N -1.09 2.29 -0.09 0.00 1.01 -0.32 -0.73 120.40 121.47 1dqo s VAL 17 Ca 0.17 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1dqo s VAL 17 Cb -0.11 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.20 1dqo s VAL 17 CO 0.09 0.00 0.06 -0.62 0.00 0.00 0.00 175.10 174.63 1dqo s ASP 18 N -0.96 1.62 -0.43 3.32 2.15 0.15 -4.50 116.67 118.01 1dqo s ASP 18 Ca 0.68 -0.17 -0.29 0.00 0.43 0.00 0.00 52.55 53.20 1dqo s ASP 18 Cb -0.39 -0.24 0.02 0.00 -0.30 0.00 0.00 42.92 42.01 1dqo s ASP 18 CO 0.46 -0.27 1.20 0.00 -0.17 0.00 0.00 175.17 176.40 1dqo s ALA 19 N 2.11 3.19 -0.14 3.66 0.00 -0.23 -0.72 121.76 129.63 1dqo s ALA 19 Ca 0.04 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1dqo s ALA 19 Cb -0.13 -3.87 -0.23 0.00 0.00 0.00 0.00 23.12 18.88 1dqo s ALA 19 CO -0.05 -2.16 0.27 1.28 0.00 0.00 0.00 175.76 175.10 1dqo n LEU 20 N 7.92 1.08 -3.74 0.00 4.77 0.21 -4.78 117.00 122.47 1dqo n LEU 20 Ca 0.13 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1dqo n LEU 20 Cb 0.48 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1dqo n LEU 20 CO 0.69 0.57 0.92 -0.94 -1.33 0.00 0.00 177.39 177.31 1dqo s SER 21 N -6.05 -0.08 0.44 -1.43 1.04 0.19 -4.93 113.70 102.88 1dqo s SER 21 Ca -0.13 -0.31 0.18 0.00 0.48 0.00 0.00 55.95 56.17 1dqo s SER 21 Cb 0.07 0.31 1.11 0.00 0.10 0.00 0.00 66.02 67.61 1dqo s SER 21 CO 0.79 -0.59 1.92 0.00 0.98 0.00 0.00 173.24 176.34 1dqo h ALA 22 N 2.00 2.19 -0.40 5.32 0.00 -1.97 -0.30 119.26 126.11 1dqo h ALA 22 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1dqo h ALA 22 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1dqo h ALA 22 CO 0.29 -0.40 0.00 0.44 0.00 0.00 0.00 179.25 179.58 1dqo n ILE 23 N -4.46 2.22 -3.49 0.00 -5.35 -1.26 -0.49 119.36 106.53 1dqo n ILE 23 Ca 0.15 -1.58 -0.08 0.00 -0.27 0.00 0.00 62.75 60.96 1dqo n ILE 23 Cb 0.57 -0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.26 1dqo n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1dqo s SER 24 N -1.41 -0.06 -0.21 7.28 0.15 -0.12 -4.96 113.70 114.35 1dqo s SER 24 Ca 0.45 0.62 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 1dqo s SER 24 Cb 0.34 1.27 0.07 0.00 -1.71 0.00 0.00 66.02 65.98 1dqo s SER 24 CO 0.13 -0.27 0.04 -0.69 1.20 0.00 0.00 173.24 173.66 1dqo s VAL 25 N 2.59 0.63 0.00 4.45 1.01 -1.26 -0.61 120.40 127.20 1dqo s VAL 25 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1dqo s VAL 25 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1dqo s VAL 25 CO -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.69 1dqo n GLN 26 N 5.00 3.71 -4.24 2.72 6.02 0.11 -1.12 117.38 129.57 1dqo n GLN 26 Ca -0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.77 1dqo n GLN 26 Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 1dqo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1dqo s THR 27 N 2.69 0.83 0.22 5.09 -4.23 -1.26 0.29 115.64 119.27 1dqo s THR 27 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1dqo s THR 27 Cb 0.00 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.87 1dqo s THR 27 CO 0.00 -0.59 0.68 0.00 -0.54 0.00 0.00 174.62 174.17 1dqo s ALA 28 N -3.55 -1.40 0.24 3.99 0.00 0.09 -4.77 121.76 116.37 1dqo s ALA 28 Ca 0.21 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 1dqo s ALA 28 Cb 0.05 0.85 -0.13 0.00 0.00 0.00 0.00 23.12 23.90 1dqo s ALA 28 CO 0.02 -0.92 1.57 2.41 0.00 0.00 0.00 175.76 178.83 1dqo n THR 29 N -0.42 0.64 -1.85 0.00 -1.04 -1.26 -1.24 114.28 109.10 1dqo n THR 29 Ca -0.09 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 1dqo n THR 29 Cb 0.62 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 1dqo n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dqo s ASN 31 N 1.91 2.53 0.18 0.00 3.84 -1.26 -5.02 114.94 117.12 1dqo s ASN 31 Ca 0.74 -0.72 0.14 0.00 0.21 0.00 0.00 52.86 53.24 1dqo s ASN 31 Cb -0.44 -0.27 0.71 0.00 -0.55 0.00 0.00 41.25 40.70 1dqo s ASN 31 CO 0.33 -0.36 1.43 -0.81 -2.79 0.00 0.00 177.10 174.90 1dqo n PRO 32 N 5.27 0.09 0.00 0.43 -0.04 -1.26 -1.95 135.00 137.54 1dqo n PRO 32 Ca -0.07 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1dqo n PRO 32 Cb 0.48 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.25 1dqo n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dqo n GLU 33 N -1.93 0.03 -2.72 0.54 1.02 -1.26 -4.87 120.64 111.44 1dqo n GLU 33 Ca -0.00 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1dqo n GLU 33 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1dqo n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dqo s ALA 34 N -2.98 3.46 0.26 0.62 0.00 -0.82 -4.92 121.76 117.36 1dqo s ALA 34 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1dqo s ALA 34 Cb 0.17 -3.60 0.45 0.00 0.00 0.00 0.00 23.12 20.14 1dqo s ALA 34 CO 0.78 -1.53 1.80 0.93 0.00 0.00 0.00 175.76 177.75 1dqo h GLU 35 N 8.27 0.77 0.00 0.00 4.39 -1.89 -1.38 114.58 124.74 1dqo h GLU 35 Ca -0.22 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1dqo h GLU 35 Cb 1.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1dqo h GLU 35 CO 1.01 0.51 0.00 -1.13 -1.16 0.00 0.00 179.01 178.24 1dqo n SER 36 N -4.75 0.58 -0.65 1.42 3.41 -1.26 -0.92 113.62 111.45 1dqo n SER 36 Ca 0.15 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.62 1dqo n SER 36 Cb 0.32 -0.83 0.10 0.00 -0.26 0.00 0.00 64.21 63.54 1dqo n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dqo n GLN 37 N -2.25 1.63 -3.37 4.33 6.02 -0.52 -1.06 117.38 122.15 1dqo n GLN 37 Ca -0.01 -1.31 -0.38 0.00 -0.01 0.00 0.00 57.00 55.30 1dqo n GLN 37 Cb 0.07 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 1dqo n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dqo s LYS 38 N -2.27 4.20 0.16 -1.09 1.02 -0.10 -4.36 119.74 117.31 1dqo s LYS 38 Ca 0.24 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1dqo s LYS 38 Cb 0.19 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1dqo s LYS 38 CO 0.45 0.36 0.04 -0.06 -0.92 0.00 0.00 175.35 175.22 1dqo s PHE 39 N -0.05 1.05 -0.23 3.18 0.40 -0.40 -0.49 117.98 121.44 1dqo s PHE 39 Ca 0.25 -1.15 -0.26 0.00 -0.60 0.00 0.00 56.93 55.17 1dqo s PHE 39 Cb -0.16 -0.59 0.07 0.00 0.51 0.00 0.00 43.02 42.85 1dqo s PHE 39 CO 0.12 -0.39 0.73 -0.98 0.70 0.00 0.00 175.22 175.40 1dqo s ARG 40 N -4.00 0.86 0.23 0.44 1.70 -0.49 -0.88 118.95 116.81 1dqo s ARG 40 Ca 0.25 0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 56.04 1dqo s ARG 40 Cb 0.07 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 1dqo s ARG 40 CO 0.04 -0.14 1.31 -1.58 -1.08 0.00 0.00 175.30 173.85 1dqo s TRP 41 N 0.06 3.22 -0.24 5.89 0.52 -1.26 -0.10 118.94 127.04 1dqo s TRP 41 Ca -0.02 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.39 1dqo s TRP 41 Cb -0.04 -3.62 0.09 0.00 -1.15 0.00 0.00 33.47 28.75 1dqo s TRP 41 CO 0.02 -1.89 1.07 1.33 0.02 0.00 0.00 176.95 177.51 1dqo n VAL 42 N 2.28 1.03 -3.96 4.03 0.24 0.04 -4.88 118.33 117.12 1dqo n VAL 42 Ca 0.05 -1.04 0.02 0.00 -2.04 0.00 0.00 64.34 61.33 1dqo n VAL 42 Cb 0.42 0.48 0.01 0.00 -1.47 0.00 0.00 33.84 33.28 1dqo n VAL 42 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1dqo n SER 43 N -0.27 -0.88 0.20 -1.34 3.41 -1.23 -4.93 113.62 108.58 1dqo n SER 43 Ca 0.03 -1.20 0.14 0.00 -0.26 0.00 0.00 58.87 57.59 1dqo n SER 43 Cb 0.31 1.37 0.62 0.00 -0.26 0.00 0.00 64.21 66.25 1dqo n SER 43 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1dqo h ASP 44 N 1.44 0.00 0.00 4.04 5.19 -1.97 -3.31 116.42 121.81 1dqo h ASP 44 Ca -0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1dqo h ASP 44 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1dqo h ASP 44 CO 0.23 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.81 1dqo n SER 45 N -2.57 0.19 -4.38 6.45 3.41 -1.26 -4.81 113.62 110.65 1dqo n SER 45 Ca 0.01 -0.60 -0.32 0.00 -0.26 0.00 0.00 58.87 57.70 1dqo n SER 45 Cb 0.22 0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 1dqo n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqo s GLN 46 N -0.19 2.66 -0.14 4.33 -0.21 -1.25 -0.27 119.66 124.60 1dqo s GLN 46 Ca 0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 1dqo s GLN 46 Cb 0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 1dqo s GLN 46 CO 0.00 0.47 -0.11 0.42 -2.12 0.00 0.00 175.29 173.95 1dqo s ILE 47 N -0.34 3.23 -0.08 1.08 1.01 -1.26 -0.78 121.20 124.06 1dqo s ILE 47 Ca 0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1dqo s ILE 47 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1dqo s ILE 47 CO 0.02 0.52 -0.04 -0.32 0.00 0.00 0.00 174.94 175.12 1dqo s MET 48 N 0.35 2.93 0.04 2.79 -2.45 0.86 -1.36 119.30 122.47 1dqo s MET 48 Ca -0.09 -0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 53.55 1dqo s MET 48 Cb -0.16 -2.70 -0.05 0.00 1.25 0.00 0.00 34.83 33.17 1dqo s MET 48 CO 0.05 0.64 1.14 0.45 1.05 0.00 0.00 175.02 178.35 1dqo s SER 49 N -0.72 7.16 0.10 1.11 0.15 0.59 -1.40 113.70 120.69 1dqo s SER 49 Ca 0.11 1.92 -0.14 0.00 0.70 0.00 0.00 55.95 58.53 1dqo s SER 49 Cb -0.11 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.53 1dqo s SER 49 CO 0.02 -0.42 1.41 0.58 1.20 0.00 0.00 173.24 176.03 1dqo h VAL 50 N 4.60 1.30 -0.28 4.45 2.07 -1.03 0.12 116.25 127.49 1dqo h VAL 50 Ca -0.41 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1dqo h VAL 50 Cb 1.21 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1dqo h VAL 50 CO 0.80 0.48 0.13 0.00 0.02 0.00 0.00 177.57 179.00 1dqo h ALA 51 N 0.69 1.71 0.00 1.67 0.00 -1.74 -3.24 119.26 118.35 1dqo h ALA 51 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dqo h ALA 51 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dqo h ALA 51 CO 0.08 0.24 -0.63 1.19 0.00 0.00 0.00 179.25 180.12 1dqo n PHE 52 N -4.44 0.00 -3.35 0.00 3.01 -1.19 -5.00 117.46 106.49 1dqo n PHE 52 Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.23 1dqo n PHE 52 Cb 0.11 -0.04 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1dqo n PHE 52 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1dqo n LYS 53 N -1.34 -5.70 -4.23 -1.08 5.02 0.43 -4.98 118.16 106.28 1dqo n LYS 53 Ca 0.01 0.80 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 1dqo n LYS 53 Cb 0.18 -5.70 -0.12 0.00 -0.02 0.00 0.00 35.03 29.37 1dqo n LYS 53 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dqo s LEU 54 N -6.93 2.35 -0.04 -0.35 1.43 -1.23 -4.67 118.68 109.23 1dqo s LEU 54 Ca 0.45 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1dqo s LEU 54 Cb -0.21 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 1dqo s LEU 54 CO 0.55 -0.09 0.33 0.00 0.23 0.00 0.00 176.35 177.37 1dqo s LEU 56 N -0.98 4.37 0.00 0.00 1.43 -0.46 -0.46 118.68 122.58 1dqo s LEU 56 Ca 0.21 2.75 -0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1dqo s LEU 56 Cb -0.15 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.51 1dqo s LEU 56 CO 0.10 -0.92 0.52 0.61 0.23 0.00 0.00 176.35 176.90 1dqo n GLY 57 N 3.92 1.53 3.06 -3.19 0.00 0.56 -4.58 105.19 106.49 1dqo n GLY 57 Ca 0.15 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1dqo n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dqo s VAL 58 N -2.44 0.35 0.24 1.61 -7.23 -0.67 -1.07 120.40 111.19 1dqo s VAL 58 Ca 0.14 -1.33 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1dqo s VAL 58 Cb -0.03 -0.88 0.15 0.00 0.56 0.00 0.00 36.38 36.18 1dqo s VAL 58 CO 0.10 -0.64 1.79 1.55 -0.31 0.00 0.00 175.10 177.59 1dqo h PRO 59 N 3.99 1.04 -3.27 4.82 0.13 -1.88 -3.45 132.00 133.37 1dqo h PRO 59 Ca -0.34 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1dqo h PRO 59 Cb 1.18 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.08 1dqo h PRO 59 CO 0.51 0.88 0.08 -1.54 -0.23 0.00 0.00 178.00 177.70 1dqo s SER 60 N -6.46 -0.21 -1.25 1.44 1.04 -1.26 -5.06 113.70 101.95 1dqo s SER 60 Ca -0.11 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 1dqo s SER 60 Cb 0.16 0.66 0.18 0.00 0.10 0.00 0.00 66.02 67.12 1dqo s SER 60 CO 0.82 -1.23 1.75 0.29 0.98 0.00 0.00 173.24 175.85 1dqo n LYS 61 N -0.42 3.66 -4.27 4.02 5.02 -1.26 -4.88 118.16 120.04 1dqo n LYS 61 Ca -0.04 -3.70 -0.19 0.00 -2.02 0.00 0.00 58.31 52.36 1dqo n LYS 61 Cb 0.61 -2.90 -0.11 0.00 -0.02 0.00 0.00 35.03 32.61 1dqo n LYS 61 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1dqo s THR 62 N 0.23 1.47 0.28 -0.18 -4.23 -1.26 -5.10 115.64 106.85 1dqo s THR 62 Ca 0.39 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1dqo s THR 62 Cb 0.07 -1.62 -0.11 0.00 1.34 0.00 0.00 72.50 72.18 1dqo s THR 62 CO 0.01 -0.38 1.57 -0.62 -0.54 0.00 0.00 174.62 174.66 1dqo s ASP 63 N -2.50 6.43 -0.48 3.99 2.15 -1.26 -2.01 116.67 122.99 1dqo s ASP 63 Ca 0.11 2.88 0.00 0.00 0.43 0.00 0.00 52.55 55.97 1dqo s ASP 63 Cb -0.05 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1dqo s ASP 63 CO 0.04 -0.88 0.00 1.87 -0.17 0.00 0.00 175.17 176.03 1dqo n TRP 64 N 2.38 0.00 -2.54 -5.34 -0.00 0.54 -4.98 117.44 107.49 1dqo n TRP 64 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.19 1dqo n TRP 64 Cb 0.38 -1.27 -0.05 0.00 -0.00 0.00 0.00 31.31 30.38 1dqo n TRP 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1dqo s ALA 65 N -2.00 3.31 0.22 5.87 0.00 -0.85 -4.72 121.76 123.59 1dqo s ALA 65 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1dqo s ALA 65 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1dqo s ALA 65 CO 0.00 -0.11 0.98 -1.12 0.00 0.00 0.00 175.76 175.51 1dqo s SER 66 N -1.12 7.54 -0.39 0.00 0.01 -1.26 -0.95 113.70 117.53 1dqo s SER 66 Ca 0.47 1.99 -0.16 0.00 1.31 0.00 0.00 55.95 59.56 1dqo s SER 66 Cb -0.28 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.35 1dqo s SER 66 CO 0.36 0.05 0.40 -0.69 0.41 0.00 0.00 173.24 173.77 1dqo s VAL 67 N -0.92 5.12 0.00 3.43 1.01 0.03 -4.36 120.40 124.72 1dqo s VAL 67 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1dqo s VAL 67 Cb -0.27 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1dqo s VAL 67 CO 0.33 -0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.50 1dqo n THR 68 N 5.35 0.00 -4.30 3.92 -2.24 -0.23 -4.32 114.28 112.45 1dqo n THR 68 Ca -0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 1dqo n THR 68 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 1dqo n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dqo s LEU 69 N 0.00 3.43 0.11 3.22 1.43 0.36 -0.32 118.68 126.90 1dqo s LEU 69 Ca 0.00 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1dqo s LEU 69 Cb 0.00 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1dqo s LEU 69 CO 0.00 0.20 -0.15 -0.31 0.23 0.00 0.00 176.35 176.32 1dqo s TYR 70 N 0.21 1.39 0.04 0.29 1.51 0.39 -4.70 117.35 116.48 1dqo s TYR 70 Ca -0.00 -0.52 -0.36 0.00 -1.01 0.00 0.00 57.07 55.18 1dqo s TYR 70 Cb -0.13 -0.74 -0.15 0.00 -0.11 0.00 0.00 41.96 40.83 1dqo s TYR 70 CO 0.02 0.13 1.57 0.00 -1.11 0.00 0.00 175.55 176.16 1dqo n ALA 71 N 0.75 0.32 -1.74 3.71 0.00 -1.26 -0.16 120.51 122.13 1dqo n ALA 71 Ca -0.17 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1dqo n ALA 71 Cb 0.56 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 1dqo n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dqo s ASP 73 N 0.66 -0.01 0.59 0.00 3.68 -1.26 -5.03 116.67 115.30 1dqo s ASP 73 Ca 0.67 0.13 0.29 0.00 2.13 0.00 0.00 52.55 55.76 1dqo s ASP 73 Cb -0.50 1.29 1.39 0.00 -1.45 0.00 0.00 42.92 43.65 1dqo s ASP 73 CO 0.45 -0.31 1.79 0.77 0.13 0.00 0.00 175.17 177.99 1dqo h SER 74 N 8.14 0.00 0.71 -0.34 4.64 -2.00 -0.88 113.55 123.83 1dqo h SER 74 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1dqo h SER 74 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1dqo h SER 74 CO 0.26 0.00 -0.83 0.29 -0.87 0.00 0.00 176.83 175.68 1dqo n LYS 75 N -3.62 0.33 -2.00 4.77 5.02 -1.26 -4.89 118.16 116.51 1dqo n LYS 75 Ca 0.11 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1dqo n LYS 75 Cb 0.84 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1dqo n LYS 75 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dqo s SER 76 N -4.25 6.66 -0.02 4.39 0.15 -0.34 -4.86 113.70 115.43 1dqo s SER 76 Ca 0.04 2.28 0.06 0.00 0.70 0.00 0.00 55.95 59.02 1dqo s SER 76 Cb 0.13 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 62.10 1dqo s SER 76 CO 0.76 -0.92 1.06 -0.62 1.20 0.00 0.00 173.24 174.72 1dqo n GLU 77 N 6.88 1.67 -0.04 5.44 -0.58 -1.26 -3.47 120.64 129.29 1dqo n GLU 77 Ca 0.17 -0.79 0.02 0.00 -0.42 0.00 0.00 57.16 56.14 1dqo n GLU 77 Cb 0.42 -1.33 0.04 0.00 -0.57 0.00 0.00 31.44 30.00 1dqo n GLU 77 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1dqo n TYR 78 N 0.13 0.09 -1.82 -0.32 4.02 -1.26 -4.52 117.16 113.48 1dqo n TYR 78 Ca 0.07 -0.27 0.05 0.00 -0.01 0.00 0.00 57.90 57.75 1dqo n TYR 78 Cb 0.28 -0.02 0.09 0.00 -0.02 0.00 0.00 39.34 39.67 1dqo n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dqo n GLN 79 N 0.05 0.71 -3.82 -0.72 10.64 -1.23 -1.67 117.38 121.34 1dqo n GLN 79 Ca 0.03 -2.24 -0.36 0.00 -1.83 0.00 0.00 57.00 52.60 1dqo n GLN 79 Cb 0.22 -0.88 -0.11 0.00 -0.86 0.00 0.00 30.24 28.61 1dqo n GLN 79 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1dqo s LYS 80 N -1.50 3.86 0.37 2.61 1.02 -1.26 -4.39 119.74 120.46 1dqo s LYS 80 Ca 0.27 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.95 1dqo s LYS 80 Cb 0.27 -3.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1dqo s LYS 80 CO -0.06 0.01 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.76 1dqo s TRP 81 N 1.12 2.41 0.17 3.18 0.52 0.62 -0.56 118.94 126.40 1dqo s TRP 81 Ca 0.05 -0.61 -0.22 0.00 0.02 0.00 0.00 56.10 55.34 1dqo s TRP 81 Cb -0.14 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.70 1dqo s TRP 81 CO 0.04 0.48 0.59 -1.83 0.02 0.00 0.00 176.95 176.25 1dqo s GLU 82 N -3.68 1.30 -0.10 4.98 -1.05 -0.25 -4.52 118.70 115.38 1dqo s GLU 82 Ca 0.34 -0.53 -0.15 0.00 -0.15 0.00 0.00 54.97 54.48 1dqo s GLU 82 Cb 0.06 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 34.29 1dqo s GLU 82 CO 0.17 -0.57 0.36 0.00 0.95 0.00 0.00 175.26 176.18 1dqo n LYS 84 N 2.95 3.29 -2.08 0.00 4.76 0.65 -5.00 118.16 122.74 1dqo n LYS 84 Ca -0.12 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.00 1dqo n LYS 84 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1dqo n LYS 84 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1dqo s ASN 85 N -1.00 5.99 -0.64 4.39 0.02 -1.26 -4.38 114.94 118.06 1dqo s ASN 85 Ca 0.00 1.71 -0.15 0.00 -1.02 0.00 0.00 52.86 53.40 1dqo s ASN 85 Cb 0.00 -2.52 0.02 0.00 0.02 0.00 0.00 41.25 38.77 1dqo s ASN 85 CO 0.00 -1.03 0.38 0.47 0.02 0.00 0.00 177.10 176.94 1dqo n ASP 86 N -2.08 -2.45 0.00 -1.22 8.00 -1.26 -1.09 116.55 116.46 1dqo n ASP 86 Ca 0.08 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1dqo n ASP 86 Cb 0.53 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1dqo n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dqo n THR 87 N -2.89 0.00 -2.14 -3.53 -2.24 -1.26 -4.90 114.28 97.32 1dqo n THR 87 Ca -0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1dqo n THR 87 Cb 0.34 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1dqo n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1dqo s LEU 88 N 0.00 4.39 -0.01 3.22 2.96 -0.25 -0.97 118.68 128.02 1dqo s LEU 88 Ca 0.00 2.46 0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1dqo s LEU 88 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1dqo s LEU 88 CO 0.00 -0.62 -0.16 0.12 -1.32 0.00 0.00 176.35 174.37 1dqo s PHE 89 N 0.41 1.48 0.16 5.38 5.36 -0.90 -0.25 117.98 129.61 1dqo s PHE 89 Ca 0.60 -0.29 -0.17 0.00 -0.96 0.00 0.00 56.93 56.11 1dqo s PHE 89 Cb -0.38 -0.95 0.06 0.00 -0.34 0.00 0.00 43.02 41.40 1dqo s PHE 89 CO 0.37 -0.03 0.82 0.41 -1.46 0.00 0.00 175.22 175.32 1dqo n GLY 90 N 2.71 0.77 3.73 13.12 0.00 -0.98 -0.97 105.19 123.57 1dqo n GLY 90 Ca -0.15 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1dqo n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dqo s ILE 91 N -2.17 2.45 -0.09 -0.61 1.01 -0.88 -1.09 121.20 119.82 1dqo s ILE 91 Ca 0.18 0.35 -0.35 0.00 0.00 0.00 0.00 60.65 60.83 1dqo s ILE 91 Cb -0.02 -3.22 -0.12 0.00 0.01 0.00 0.00 42.46 39.10 1dqo s ILE 91 CO 0.05 0.04 1.85 1.17 0.00 0.00 0.00 174.94 178.05 1dqo n LYS 92 N 3.12 2.09 -0.93 2.79 4.81 0.28 -1.85 118.16 128.46 1dqo n LYS 92 Ca 0.11 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1dqo n LYS 92 Cb 0.38 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1dqo n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dqo n GLY 93 N 4.31 0.62 3.19 3.14 0.00 -1.26 -4.96 105.19 110.23 1dqo n GLY 93 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1dqo n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dqo s THR 94 N -2.36 0.95 -0.65 2.61 2.01 -0.77 -5.04 115.64 112.39 1dqo s THR 94 Ca 0.00 -1.82 -0.03 0.00 0.31 0.00 0.00 61.69 60.15 1dqo s THR 94 Cb 0.00 -1.56 0.19 0.00 0.01 0.00 0.00 72.50 71.14 1dqo s THR 94 CO 0.00 -0.68 2.43 -0.62 -0.69 0.00 0.00 174.62 175.06 1dqo n GLU 95 N 0.22 2.66 -4.46 4.92 1.02 -1.26 -4.57 120.64 119.17 1dqo n GLU 95 Ca -0.14 -2.92 -0.28 0.00 -0.02 0.00 0.00 57.16 53.80 1dqo n GLU 95 Cb 0.59 -2.22 -0.17 0.00 -0.02 0.00 0.00 31.44 29.63 1dqo n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dqo s LEU 96 N -3.03 1.70 0.09 -4.62 1.43 -1.26 -4.60 118.68 108.39 1dqo s LEU 96 Ca 0.56 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1dqo s LEU 96 Cb 0.40 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1dqo s LEU 96 CO -0.30 0.01 -0.01 -0.31 0.23 0.00 0.00 176.35 175.97 1dqo s TYR 97 N 0.98 2.96 -0.18 0.29 1.51 0.15 -2.07 117.35 120.98 1dqo s TYR 97 Ca -0.07 -0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1dqo s TYR 97 Cb -0.15 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1dqo s TYR 97 CO -0.01 0.47 2.02 0.12 -1.11 0.00 0.00 175.55 177.04 1dqo s PHE 98 N -1.29 1.42 0.06 2.71 5.36 -0.14 -0.58 117.98 125.52 1dqo s PHE 98 Ca 0.25 0.35 0.05 0.00 -0.96 0.00 0.00 56.93 56.62 1dqo s PHE 98 Cb -0.12 -4.03 -0.03 0.00 -0.34 0.00 0.00 43.02 38.51 1dqo s PHE 98 CO 0.17 -4.06 -0.15 1.21 -1.46 0.00 0.00 175.22 170.93 1dqo s ASN 99 N 6.60 1.74 -0.13 6.13 3.84 0.19 -4.31 114.94 128.99 1dqo s ASN 99 Ca 0.91 -0.55 -0.08 0.00 0.21 0.00 0.00 52.86 53.34 1dqo s ASN 99 Cb -0.32 -0.08 0.05 0.00 -0.55 0.00 0.00 41.25 40.34 1dqo s ASN 99 CO 0.35 -0.02 0.33 -0.47 -2.79 0.00 0.00 177.10 174.51 1dqo s TYR 100 N -1.09 -0.44 0.00 0.43 5.04 -1.10 -0.98 117.35 119.21 1dqo s TYR 100 Ca 0.00 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1dqo s TYR 100 Cb -0.09 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1dqo s TYR 100 CO 0.02 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1dqo n GLY 101 N 3.89 1.50 3.82 8.97 0.00 -1.26 -4.75 105.19 117.36 1dqo n GLY 101 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1dqo n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dqo s ASN 102 N -0.99 7.03 -1.72 1.61 0.01 -1.26 -4.41 114.94 115.21 1dqo s ASN 102 Ca 0.00 1.36 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 1dqo s ASN 102 Cb 0.00 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1dqo s ASN 102 CO 0.00 0.06 0.00 0.54 -1.51 0.00 0.00 177.10 176.19 1dqo n ARG 103 N 0.81 -1.64 -2.01 -0.60 5.12 -1.26 -2.47 116.66 114.62 1dqo n ARG 103 Ca -0.03 0.96 -0.18 0.00 -1.93 0.00 0.00 57.85 56.68 1dqo n ARG 103 Cb 0.51 -5.45 -0.04 0.00 -1.16 0.00 0.00 32.46 26.32 1dqo n ARG 103 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1dqo n GLN 104 N -2.57 -1.67 -2.94 5.56 6.02 -1.26 -4.91 117.38 115.60 1dqo n GLN 104 Ca -0.20 0.93 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 1dqo n GLN 104 Cb 0.63 -5.43 -0.05 0.00 1.02 0.00 0.00 30.24 26.41 1dqo n GLN 104 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1dqo s GLU 105 N -4.35 4.12 0.23 -1.09 2.56 -1.03 -4.95 118.70 114.19 1dqo s GLU 105 Ca 0.00 0.79 0.10 0.00 0.00 0.00 0.00 54.97 55.86 1dqo s GLU 105 Cb 0.00 -3.66 0.17 0.00 2.00 0.00 0.00 34.13 32.63 1dqo s GLU 105 CO 0.00 -0.54 1.50 0.87 -0.56 0.00 0.00 175.26 176.53 1dqo h LYS 106 N 7.82 0.00 -6.99 4.30 1.57 -1.90 -3.41 116.57 117.96 1dqo h LYS 106 Ca -0.24 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.08 1dqo h LYS 106 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1dqo h LYS 106 CO 0.86 0.72 0.28 1.21 -0.57 0.00 0.00 179.45 181.95 1dqo s ASN 107 N -6.74 6.85 0.34 0.86 2.47 -1.26 -4.06 114.94 113.40 1dqo s ASN 107 Ca -0.00 1.56 -0.29 0.00 0.42 0.00 0.00 52.86 54.55 1dqo s ASN 107 Cb 0.11 -2.49 -0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1dqo s ASN 107 CO 0.77 -0.35 1.37 -0.63 -3.72 0.00 0.00 177.10 174.54 1dqo s ILE 108 N -2.19 2.53 0.18 -5.21 -1.09 -0.28 -4.89 121.20 110.26 1dqo s ILE 108 Ca 0.59 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.61 1dqo s ILE 108 Cb -0.09 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1dqo s ILE 108 CO 0.17 0.12 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.33 1dqo s LYS 109 N -1.74 1.22 0.01 2.79 -0.14 -0.15 -0.79 119.74 120.94 1dqo s LYS 109 Ca 0.51 -1.53 -0.19 0.00 -1.36 0.00 0.00 55.97 53.39 1dqo s LYS 109 Cb -0.42 -0.91 -0.06 0.00 -1.68 0.00 0.00 37.83 34.77 1dqo s LYS 109 CO 0.55 0.14 0.56 -0.51 -0.76 0.00 0.00 175.35 175.32 1dqo s LEU 110 N -3.26 4.45 0.01 3.17 1.43 -0.13 0.55 118.68 124.91 1dqo s LEU 110 Ca 0.20 1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1dqo s LEU 110 Cb 0.01 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 1dqo s LEU 110 CO 0.04 0.18 0.03 -0.47 0.23 0.00 0.00 176.35 176.36 1dqo s TYR 111 N -0.53 0.16 0.16 0.29 5.04 0.26 -0.34 117.35 122.38 1dqo s TYR 111 Ca 0.29 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1dqo s TYR 111 Cb -0.18 -0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.02 1dqo s TYR 111 CO 0.17 -0.19 1.40 0.87 -1.34 0.00 0.00 175.55 176.45 1dqo h LYS 112 N 4.75 0.38 -7.01 4.97 1.57 -1.88 0.43 116.57 119.78 1dqo h LYS 112 Ca -0.31 -0.34 -0.54 0.00 -1.87 0.00 0.00 60.65 57.59 1dqo h LYS 112 Cb 1.21 0.08 0.11 0.00 0.08 0.00 0.00 32.23 33.71 1dqo h LYS 112 CO 0.42 1.00 0.63 0.20 -0.57 0.00 0.00 179.45 181.12 1dqo s GLY 113 N -4.36 2.89 -0.29 3.86 0.00 -1.26 -4.82 107.32 103.35 1dqo s GLY 113 Ca -0.05 1.32 0.08 0.00 0.00 0.00 0.00 44.72 46.07 1dqo s GLY 113 CO 0.84 1.87 1.32 -1.14 0.00 0.00 0.00 173.10 176.00 1dqo n SER 114 N -0.52 3.35 -2.58 1.64 3.41 -1.26 -4.71 113.62 112.95 1dqo n SER 114 Ca 0.07 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1dqo n SER 114 Cb 0.44 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1dqo n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqo n GLY 115 N -0.97 0.13 0.29 5.00 0.00 -1.26 -4.83 105.19 103.55 1dqo n GLY 115 Ca 0.34 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.86 1dqo n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dqo h LEU 116 N 0.00 0.00 -0.08 0.99 3.38 -1.96 -2.29 115.31 115.36 1dqo h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dqo h LEU 116 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dqo h LEU 116 CO 0.00 0.00 -0.16 0.79 0.09 0.00 0.00 178.44 179.16 1dqo n TRP 117 N -3.94 0.00 -0.14 1.13 8.01 -1.26 -3.01 117.44 118.22 1dqo n TRP 117 Ca -0.03 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.24 1dqo n TRP 117 Cb 0.09 -0.32 0.19 0.00 -2.01 0.00 0.00 31.31 29.26 1dqo n TRP 117 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1dqo n SER 118 N -1.31 3.12 -4.51 -0.99 7.64 -0.86 -2.71 113.62 114.00 1dqo n SER 118 Ca 0.10 -1.96 -0.34 0.00 1.01 0.00 0.00 58.87 57.68 1dqo n SER 118 Cb 0.31 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 1dqo n SER 118 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1dqo s ARG 119 N -1.02 3.41 0.03 1.43 0.52 -1.17 -2.11 118.95 120.05 1dqo s ARG 119 Ca 0.29 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1dqo s ARG 119 Cb 0.16 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 1dqo s ARG 119 CO 0.21 0.35 -0.09 -1.58 0.02 0.00 0.00 175.30 174.20 1dqo s TRP 120 N 0.06 0.78 0.21 -0.53 0.52 -0.14 -4.57 118.94 115.27 1dqo s TRP 120 Ca -0.01 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.79 1dqo s TRP 120 Cb -0.14 -0.47 -0.05 0.00 -1.15 0.00 0.00 33.47 31.67 1dqo s TRP 120 CO 0.03 -0.03 -0.09 0.15 0.02 0.00 0.00 176.95 177.02 1dqo s LYS 121 N -1.22 1.31 -0.18 4.98 1.02 0.31 -4.13 119.74 121.85 1dqo s LYS 121 Ca -0.05 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.04 1dqo s LYS 121 Cb -0.08 -0.93 -0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1dqo s LYS 121 CO 0.01 0.08 1.25 0.08 -0.92 0.00 0.00 175.35 175.85 1dqo s VAL 122 N -3.14 4.30 0.13 3.17 1.01 -0.43 -0.66 120.40 124.78 1dqo s VAL 122 Ca 0.24 1.56 -0.35 0.00 0.00 0.00 0.00 61.98 63.43 1dqo s VAL 122 Cb 0.02 -4.02 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 1dqo s VAL 122 CO 0.07 -0.16 1.35 0.00 0.00 0.00 0.00 175.10 176.36 1dqo n TYR 123 N 6.65 1.67 -0.23 5.22 9.36 -0.04 -1.24 117.16 138.55 1dqo n TYR 123 Ca 0.14 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.92 1dqo n TYR 123 Cb 0.45 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 1dqo n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1dqo n GLY 124 N 2.54 0.69 3.05 2.98 0.00 -1.26 -4.77 105.19 108.41 1dqo n GLY 124 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1dqo n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dqo n THR 125 N -2.00 0.00 -1.42 2.61 -2.24 -0.37 -5.03 114.28 105.83 1dqo n THR 125 Ca 0.00 -2.23 0.04 0.00 -2.27 0.00 0.00 64.05 59.59 1dqo n THR 125 Cb 0.00 0.95 0.20 0.00 -2.10 0.00 0.00 70.33 69.38 1dqo n THR 125 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dqo n THR 126 N -0.72 2.25 -4.11 4.28 -2.24 -1.26 -4.71 114.28 107.77 1dqo n THR 126 Ca 0.01 -2.85 -0.27 0.00 -2.27 0.00 0.00 64.05 58.67 1dqo n THR 126 Cb 0.56 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 1dqo n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1dqo s ASP 127 N -2.91 5.36 0.87 3.42 1.01 -1.26 -5.02 116.67 118.14 1dqo s ASP 127 Ca 0.39 -0.18 -0.13 0.00 0.71 0.00 0.00 52.55 53.34 1dqo s ASP 127 Cb 0.36 -1.35 0.12 0.00 1.01 0.00 0.00 42.92 43.06 1dqo s ASP 127 CO -0.02 0.08 1.21 1.51 0.21 0.00 0.00 175.17 178.16 1dqo s ASP 128 N -3.03 3.95 0.53 0.27 1.47 -1.26 -1.32 116.67 117.29 1dqo s ASP 128 Ca 0.30 0.66 0.20 0.00 1.18 0.00 0.00 52.55 54.89 1dqo s ASP 128 Cb -0.10 -1.04 1.38 0.00 -0.34 0.00 0.00 42.92 42.82 1dqo s ASP 128 CO 0.22 -2.24 2.14 -0.07 0.68 0.00 0.00 175.17 175.90 1dqo h LEU 129 N -1.29 0.00 -1.13 2.11 3.38 -1.88 -2.47 115.31 114.04 1dqo h LEU 129 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1dqo h LEU 129 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1dqo h LEU 129 CO 0.58 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1dqo h SER 131 N 0.00 0.00 -0.26 0.00 4.64 -1.77 0.14 113.55 116.30 1dqo h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqo h SER 131 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1dqo h SER 131 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1dqo n ARG 132 N -3.09 2.40 -0.72 4.77 5.12 -1.02 -4.97 116.66 119.14 1dqo n ARG 132 Ca -0.01 -2.14 0.00 0.00 -1.93 0.00 0.00 57.85 53.76 1dqo n ARG 132 Cb 0.17 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1dqo n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dqo n GLY 133 N 1.42 1.30 0.09 -0.13 0.00 0.50 -4.66 105.19 103.70 1dqo n GLY 133 Ca 0.17 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 1dqo n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dqo n TYR 134 N -1.10 0.55 1.04 1.61 4.02 -1.26 -5.07 117.16 116.96 1dqo n TYR 134 Ca 0.00 0.20 0.12 0.00 -0.01 0.00 0.00 57.90 58.21 1dqo n TYR 134 Cb 0.00 -1.08 0.14 0.00 -0.02 0.00 0.00 39.34 38.38 1dqo n TYR 134 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94