#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq9 s GLN 2 N 0.00 1.55 -0.49 0.54 -1.52 -1.26 -5.08 119.66 113.40 1rq9 s GLN 2 Ca 0.00 -2.26 -0.27 0.00 -1.95 0.00 0.00 55.36 50.88 1rq9 s GLN 2 Cb 0.00 -2.70 0.03 0.00 -0.22 0.00 0.00 33.01 30.12 1rq9 s GLN 2 CO 0.00 -1.15 1.04 0.42 -0.25 0.00 0.00 175.29 175.35 1rq9 s ILE 3 N 0.08 4.31 1.31 1.08 1.09 -1.26 -5.03 121.20 122.78 1rq9 s ILE 3 Ca 0.18 0.93 -0.21 0.00 -1.10 0.00 0.00 60.65 60.44 1rq9 s ILE 3 Cb -0.24 -4.54 0.33 0.00 -1.06 0.00 0.00 42.46 36.95 1rq9 s ILE 3 CO -0.00 -0.98 1.04 0.42 -0.10 0.00 0.00 174.94 175.32 1rq9 s THR 4 N 4.17 1.39 -0.13 2.92 -4.23 -1.26 -5.01 115.64 113.50 1rq9 s THR 4 Ca 0.42 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.08 1rq9 s THR 4 Cb -0.09 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.80 1rq9 s THR 4 CO 0.28 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.72 1rq9 n LEU 5 N -5.17 2.03 0.19 4.79 4.77 -1.26 -4.67 117.00 117.68 1rq9 n LEU 5 Ca 0.14 -3.10 0.08 0.00 -0.03 0.00 0.00 56.01 53.10 1rq9 n LEU 5 Cb 0.60 -0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.62 1rq9 n LEU 5 CO 0.43 0.99 0.69 -0.50 -1.33 0.00 0.00 177.39 177.67 1rq9 h TRP 6 N 0.78 0.00 -5.59 -1.77 4.06 -2.04 -3.45 115.95 107.94 1rq9 h TRP 6 Ca -0.06 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.30 1rq9 h TRP 6 Cb 1.26 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.35 1rq9 h TRP 6 CO 0.45 0.29 -0.33 1.04 -3.56 0.00 0.00 178.44 176.33 1rq9 n GLN 7 N -3.29 0.72 -3.27 0.49 3.00 -1.26 -5.11 117.38 108.66 1rq9 n GLN 7 Ca 0.01 -3.48 -0.39 0.00 -0.01 0.00 0.00 57.00 53.14 1rq9 n GLN 7 Cb 0.55 0.55 -0.06 0.00 0.00 0.00 0.00 30.24 31.28 1rq9 n GLN 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1rq9 s ARG 8 N -4.10 4.28 0.00 -1.09 0.52 -1.26 -4.95 118.95 112.35 1rq9 s ARG 8 Ca 0.21 0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 55.65 1rq9 s ARG 8 Cb -0.02 -3.49 -0.28 0.00 0.52 0.00 0.00 34.95 31.68 1rq9 s ARG 8 CO 0.14 0.02 1.39 -0.35 0.02 0.00 0.00 175.30 176.52 1rq9 n PRO 9 N 4.16 0.00 -3.49 3.54 -0.04 -1.26 -4.86 135.00 133.06 1rq9 n PRO 9 Ca -0.06 -0.84 -0.39 0.00 -0.04 0.00 0.00 63.50 62.18 1rq9 n PRO 9 Cb 0.51 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1rq9 n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rq9 s ILE 10 N 6.31 5.24 0.19 0.52 1.01 -1.26 0.44 121.20 133.66 1rq9 s ILE 10 Ca 0.51 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.51 1rq9 s ILE 10 Cb 0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1rq9 s ILE 10 CO 0.26 0.15 -0.19 0.68 0.00 0.00 0.00 174.94 175.84 1rq9 s VAL 11 N 1.90 1.99 -0.47 2.92 -7.23 0.12 -4.89 120.40 114.75 1rq9 s VAL 11 Ca 0.10 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.03 1rq9 s VAL 11 Cb -0.16 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1rq9 s VAL 11 CO 0.11 -0.30 0.79 -0.89 -0.31 0.00 0.00 175.10 174.49 1rq9 s THR 12 N -2.09 4.64 0.00 5.32 2.01 -1.26 -1.63 115.64 122.63 1rq9 s THR 12 Ca 0.19 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1rq9 s THR 12 Cb -0.06 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1rq9 s THR 12 CO 0.08 -0.77 0.00 2.30 -0.69 0.00 0.00 174.62 175.54 1rq9 n ILE 13 N 6.10 0.00 -2.71 1.82 -5.35 -1.12 -3.35 119.36 114.75 1rq9 n ILE 13 Ca 0.01 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.44 1rq9 n ILE 13 Cb 0.48 -1.63 0.04 0.00 -1.74 0.00 0.00 39.64 36.79 1rq9 n ILE 13 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1rq9 n LYS 14 N -0.20 0.39 -4.05 6.28 4.81 0.46 -3.49 118.16 122.35 1rq9 n LYS 14 Ca 0.00 -1.32 -0.32 0.00 -0.87 0.00 0.00 58.31 55.80 1rq9 n LYS 14 Cb 0.00 -0.77 -0.06 0.00 0.02 0.00 0.00 35.03 34.21 1rq9 n LYS 14 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1rq9 s ILE 15 N 0.66 4.74 0.00 3.15 2.07 -1.17 -2.86 121.20 127.79 1rq9 s ILE 15 Ca 0.28 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 1rq9 s ILE 15 Cb 0.14 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.50 1rq9 s ILE 15 CO -0.12 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1rq9 n GLY 16 N 0.75 0.12 0.23 1.50 0.00 -1.26 -1.99 105.19 104.54 1rq9 n GLY 16 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1rq9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 17 N -0.15 0.67 1.98 -0.02 0.00 -1.26 -5.06 105.19 101.35 1rq9 n GLY 17 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1rq9 n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rq9 n GLN 18 N -2.00 0.77 -4.92 1.61 6.02 -0.84 -5.10 117.38 112.91 1rq9 n GLN 18 Ca 0.00 -1.57 -0.27 0.00 -0.01 0.00 0.00 57.00 55.15 1rq9 n GLN 18 Cb 0.00 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 30.97 1rq9 n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rq9 s LEU 19 N 0.00 1.96 0.00 1.08 1.43 -1.26 -3.05 118.68 118.84 1rq9 s LEU 19 Ca 0.31 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1rq9 s LEU 19 Cb -0.02 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1rq9 s LEU 19 CO 0.20 0.18 0.22 0.29 0.23 0.00 0.00 176.35 177.47 1rq9 n LYS 20 N 2.99 0.40 -3.96 1.70 5.02 -1.23 -4.99 118.16 118.09 1rq9 n LYS 20 Ca -0.17 -2.85 -0.35 0.00 -2.02 0.00 0.00 58.31 52.92 1rq9 n LYS 20 Cb 0.53 2.19 -0.14 0.00 -0.02 0.00 0.00 35.03 37.59 1rq9 n LYS 20 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rq9 s GLU 21 N -3.18 3.39 0.01 1.97 2.56 -1.26 -2.77 118.70 119.42 1rq9 s GLU 21 Ca 0.31 -0.62 0.02 0.00 0.00 0.00 0.00 54.97 54.68 1rq9 s GLU 21 Cb 0.02 -3.00 -0.01 0.00 2.00 0.00 0.00 34.13 33.14 1rq9 s GLU 21 CO 0.22 -0.16 -0.07 0.00 -0.56 0.00 0.00 175.26 174.69 1rq9 s ALA 22 N 1.40 0.53 -0.25 6.30 0.00 -0.64 -4.22 121.76 124.87 1rq9 s ALA 22 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 1rq9 s ALA 22 Cb -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1rq9 s ALA 22 CO -0.03 0.10 0.16 -1.17 0.00 0.00 0.00 175.76 174.82 1rq9 s LEU 23 N -0.46 4.01 -0.75 0.00 0.20 0.25 0.15 118.68 122.08 1rq9 s LEU 23 Ca -0.00 0.04 -0.26 0.00 0.69 0.00 0.00 54.13 54.60 1rq9 s LEU 23 Cb -0.04 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1rq9 s LEU 23 CO -0.00 0.02 1.70 -0.76 -0.29 0.00 0.00 176.35 177.02 1rq9 s LEU 24 N 1.33 3.26 -0.51 -0.68 1.43 0.17 -0.93 118.68 122.75 1rq9 s LEU 24 Ca 0.07 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1rq9 s LEU 24 Cb -0.15 -2.55 0.12 0.00 0.03 0.00 0.00 46.19 43.65 1rq9 s LEU 24 CO 0.07 -2.23 0.43 0.21 0.23 0.00 0.00 176.35 175.06 1rq9 s ASN 25 N 6.72 6.00 0.18 2.29 3.84 -0.69 -4.77 114.94 128.51 1rq9 s ASN 25 Ca 0.58 -1.79 -0.12 0.00 0.21 0.00 0.00 52.86 51.74 1rq9 s ASN 25 Cb -0.09 -2.13 0.09 0.00 -0.55 0.00 0.00 41.25 38.57 1rq9 s ASN 25 CO 0.12 -0.78 1.77 0.71 -2.79 0.00 0.00 177.10 176.13 1rq9 h THR 26 N 5.97 1.22 0.00 -5.21 1.35 -1.92 -0.78 112.91 113.54 1rq9 h THR 26 Ca -0.27 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1rq9 h THR 26 Cb 1.09 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1rq9 h THR 26 CO 0.96 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 177.09 1rq9 n GLY 27 N -0.95 -0.63 3.61 5.82 0.00 -1.26 -4.62 105.19 107.16 1rq9 n GLY 27 Ca 0.04 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1rq9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rq9 s ALA 28 N -2.77 3.59 0.03 4.61 0.00 -0.30 -4.99 121.76 121.94 1rq9 s ALA 28 Ca 0.06 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1rq9 s ALA 28 Cb 0.05 -2.93 -0.16 0.00 0.00 0.00 0.00 23.12 20.08 1rq9 s ALA 28 CO 0.12 -0.79 1.45 -0.44 0.00 0.00 0.00 175.76 176.11 1rq9 h ASP 29 N 8.03 0.09 -0.25 0.00 3.32 -1.84 0.27 116.42 126.05 1rq9 h ASP 29 Ca -0.28 -0.31 -0.64 0.00 0.02 0.00 0.00 57.03 55.81 1rq9 h ASP 29 Cb 1.14 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.57 1rq9 h ASP 29 CO 0.73 0.38 -0.40 -1.81 -1.72 0.00 0.00 179.24 176.42 1rq9 s ASP 30 N -5.60 4.38 -0.21 6.45 1.01 -1.26 -3.16 116.67 118.27 1rq9 s ASP 30 Ca -0.15 -1.52 -0.01 0.00 0.71 0.00 0.00 52.55 51.59 1rq9 s ASP 30 Cb 0.04 0.64 0.02 0.00 1.01 0.00 0.00 42.92 44.63 1rq9 s ASP 30 CO 0.69 -1.05 -0.12 -0.89 0.21 0.00 0.00 175.17 174.00 1rq9 s THR 31 N -2.86 2.58 -0.03 -1.27 2.01 -1.26 -3.01 115.64 111.79 1rq9 s THR 31 Ca 0.15 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1rq9 s THR 31 Cb -0.01 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1rq9 s THR 31 CO 0.10 0.41 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.49 1rq9 s VAL 32 N 1.34 1.98 -0.04 3.82 1.01 -1.17 -0.71 120.40 126.61 1rq9 s VAL 32 Ca 0.03 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1rq9 s VAL 32 Cb -0.14 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1rq9 s VAL 32 CO -0.08 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.76 1rq9 s LEU 33 N -0.41 1.45 0.20 3.92 1.02 0.50 -2.67 118.68 122.69 1rq9 s LEU 33 Ca 0.05 -0.14 -0.32 0.00 0.02 0.00 0.00 54.13 53.73 1rq9 s LEU 33 Cb -0.11 -0.47 -0.12 0.00 0.02 0.00 0.00 46.19 45.50 1rq9 s LEU 33 CO 0.01 -0.03 1.71 -0.62 0.02 0.00 0.00 176.35 177.44 1rq9 n GLU 34 N 3.87 2.71 0.00 1.70 1.02 -1.15 -1.19 120.64 127.60 1rq9 n GLU 34 Ca -0.24 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1rq9 n GLU 34 Cb 0.52 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1rq9 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rq9 n GLU 35 N 3.88 0.00 -3.30 3.49 4.71 -1.25 -4.82 120.64 123.35 1rq9 n GLU 35 Ca 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.25 1rq9 n GLU 35 Cb 0.34 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.71 1rq9 n GLU 35 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1rq9 s VAL 36 N 0.00 -0.70 -0.84 2.62 1.01 -1.26 -5.02 120.40 116.21 1rq9 s VAL 36 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1rq9 s VAL 36 Cb 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 36.38 35.30 1rq9 s VAL 36 CO 0.00 -0.14 2.29 -3.20 0.00 0.00 0.00 175.10 174.05 1rq9 n ASN 37 N 5.37 1.12 -4.68 3.32 5.15 -1.26 -4.87 115.26 119.43 1rq9 n ASN 37 Ca -0.02 -1.48 -0.38 0.00 -0.60 0.00 0.00 54.58 52.11 1rq9 n ASN 37 Cb 0.50 -1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.21 1rq9 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1rq9 s LEU 38 N 12.50 4.16 0.63 1.20 1.43 -1.26 -5.03 118.68 132.32 1rq9 s LEU 38 Ca 0.95 0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 1rq9 s LEU 38 Cb -0.23 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1rq9 s LEU 38 CO 0.17 -0.03 1.06 -2.84 0.23 0.00 0.00 176.35 174.94 1rq9 s PRO 39 N 1.16 3.16 0.37 1.29 0.02 -1.26 -4.92 135.00 134.82 1rq9 s PRO 39 Ca 0.17 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1rq9 s PRO 39 Cb -0.14 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1rq9 s PRO 39 CO 0.07 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1rq9 n GLY 40 N -1.21 -1.80 3.90 0.52 0.00 -1.26 -4.97 105.19 100.37 1rq9 n GLY 40 Ca 0.09 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1rq9 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rq9 s ARG 41 N 0.00 3.35 0.31 1.61 1.70 -1.26 -5.10 118.95 119.56 1rq9 s ARG 41 Ca 0.00 -0.48 0.05 0.00 -0.47 0.00 0.00 55.73 54.82 1rq9 s ARG 41 Cb 0.00 -2.99 -0.02 0.00 -0.57 0.00 0.00 34.95 31.37 1rq9 s ARG 41 CO 0.00 0.60 0.17 -2.67 -1.08 0.00 0.00 175.30 172.32 1rq9 n TRP 42 N 0.31 -0.21 -3.54 5.89 4.27 -1.26 -4.34 117.44 118.57 1rq9 n TRP 42 Ca -0.06 -2.24 -0.16 0.00 -3.89 0.00 0.00 57.50 51.15 1rq9 n TRP 42 Cb 0.51 0.10 -0.06 0.00 -1.36 0.00 0.00 31.31 30.50 1rq9 n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 1rq9 s LYS 43 N -3.22 0.97 -0.11 -2.67 -2.85 -0.57 -4.90 119.74 106.38 1rq9 s LYS 43 Ca 0.24 0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 55.23 1rq9 s LYS 43 Cb 0.01 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 1rq9 s LYS 43 CO 0.17 -0.28 1.69 -1.25 0.10 0.00 0.00 175.35 175.77 1rq9 s PRO 44 N -1.01 4.00 -0.10 1.78 0.04 -1.26 -0.80 135.00 137.65 1rq9 s PRO 44 Ca -0.08 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 1rq9 s PRO 44 Cb -0.01 -4.03 0.04 0.00 0.04 0.00 0.00 34.50 30.54 1rq9 s PRO 44 CO 0.08 -1.06 0.01 0.21 0.04 0.00 0.00 177.00 176.27 1rq9 s LYS 45 N 4.38 0.64 0.06 4.56 2.20 -1.15 -4.97 119.74 125.46 1rq9 s LYS 45 Ca 0.75 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 1rq9 s LYS 45 Cb -0.31 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 1rq9 s LYS 45 CO 0.30 -0.38 0.99 -0.51 -0.36 0.00 0.00 175.35 175.39 1rq9 s LEU 46 N 1.94 4.43 0.00 5.43 1.43 -1.26 -3.29 118.68 127.36 1rq9 s LEU 46 Ca 0.04 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1rq9 s LEU 46 Cb -0.13 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1rq9 s LEU 46 CO -0.06 -0.19 0.01 2.30 0.23 0.00 0.00 176.35 178.64 1rq9 n ILE 47 N 3.38 0.00 -3.79 -0.59 -5.35 -0.36 -4.93 119.36 107.72 1rq9 n ILE 47 Ca 0.04 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1rq9 n ILE 47 Cb 0.50 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 1rq9 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rq9 n GLY 48 N 2.12 1.75 0.00 3.28 0.00 -1.26 -3.01 105.19 108.08 1rq9 n GLY 48 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1rq9 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 49 N 0.00 -0.87 3.74 -0.02 0.00 -1.16 -4.87 105.19 102.00 1rq9 n GLY 49 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1rq9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rq9 s ILE 50 N 0.00 5.37 -0.06 -0.61 -1.09 -1.26 -3.66 121.20 119.89 1rq9 s ILE 50 Ca 0.00 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1rq9 s ILE 50 Cb 0.00 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1rq9 s ILE 50 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1rq9 n GLY 51 N 3.41 0.43 0.00 6.18 0.00 -1.26 -4.77 105.19 109.18 1rq9 n GLY 51 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1rq9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 52 N -2.10 1.89 1.06 -0.02 0.00 -1.24 -5.10 105.19 99.68 1rq9 n GLY 52 Ca -0.01 -2.20 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 1rq9 n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rq9 n PHE 53 N -1.06 -3.27 -3.67 1.61 3.72 -1.26 -3.01 117.46 110.52 1rq9 n PHE 53 Ca 0.00 -0.48 -0.08 0.00 -0.05 0.00 0.00 57.45 56.84 1rq9 n PHE 53 Cb 0.00 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.25 1rq9 n PHE 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rq9 s VAL 54 N -0.69 -0.09 -0.19 -4.37 0.11 -1.16 -4.81 120.40 109.19 1rq9 s VAL 54 Ca 0.18 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.13 1rq9 s VAL 54 Cb -0.01 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1rq9 s VAL 54 CO 0.12 0.02 0.36 -0.75 -3.33 0.00 0.00 175.10 171.52 1rq9 s LYS 55 N 1.63 4.19 0.15 1.54 2.20 -1.26 -1.22 119.74 126.98 1rq9 s LYS 55 Ca -0.09 0.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.73 1rq9 s LYS 55 Cb -0.07 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1rq9 s LYS 55 CO -0.16 0.04 -0.13 0.14 -0.36 0.00 0.00 175.35 174.88 1rq9 s VAL 56 N 1.08 1.39 -0.20 4.02 -7.23 -1.21 -4.79 120.40 113.47 1rq9 s VAL 56 Ca 0.18 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 1rq9 s VAL 56 Cb -0.14 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1rq9 s VAL 56 CO 0.07 -0.59 0.58 -0.13 -0.31 0.00 0.00 175.10 174.72 1rq9 s ARG 57 N -3.34 4.20 -0.50 4.82 0.52 0.28 -2.94 118.95 122.00 1rq9 s ARG 57 Ca 0.16 0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 55.70 1rq9 s ARG 57 Cb -0.01 -3.57 0.06 0.00 0.52 0.00 0.00 34.95 31.95 1rq9 s ARG 57 CO 0.03 -0.19 0.59 -1.14 0.02 0.00 0.00 175.30 174.61 1rq9 s GLN 58 N 1.76 3.10 -0.28 3.54 0.74 0.02 -0.34 119.66 128.21 1rq9 s GLN 58 Ca 0.27 -0.94 -0.10 0.00 0.05 0.00 0.00 55.36 54.64 1rq9 s GLN 58 Cb -0.16 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.83 1rq9 s GLN 58 CO 0.10 -1.17 0.15 0.71 -0.55 0.00 0.00 175.29 174.53 1rq9 s TYR 59 N 2.47 3.17 0.86 1.67 1.51 -1.21 -1.52 117.35 124.31 1rq9 s TYR 59 Ca 0.14 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 1rq9 s TYR 59 Cb -0.20 -2.34 0.11 0.00 -0.11 0.00 0.00 41.96 39.42 1rq9 s TYR 59 CO 0.11 -0.29 1.16 -0.51 -1.11 0.00 0.00 175.55 174.92 1rq9 s ASP 60 N 1.69 4.02 -0.41 2.29 1.01 -1.26 -2.50 116.67 121.50 1rq9 s ASP 60 Ca 0.06 0.85 -0.08 0.00 0.71 0.00 0.00 52.55 54.10 1rq9 s ASP 60 Cb -0.16 -1.37 0.01 0.00 1.01 0.00 0.00 42.92 42.41 1rq9 s ASP 60 CO 0.08 -2.22 0.25 0.00 0.21 0.00 0.00 175.17 173.49 1rq9 n GLN 61 N -3.53 -0.67 -3.57 8.23 6.02 -1.26 -4.75 117.38 117.85 1rq9 n GLN 61 Ca 0.07 -0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 1rq9 n GLN 61 Cb 0.60 -0.59 -0.07 0.00 1.02 0.00 0.00 30.24 31.20 1rq9 n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rq9 s VAL 62 N -3.52 5.33 0.36 5.09 1.01 0.29 -4.57 120.40 124.38 1rq9 s VAL 62 Ca 0.11 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 1rq9 s VAL 62 Cb -0.06 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1rq9 s VAL 62 CO 0.37 0.40 1.24 -2.84 0.00 0.00 0.00 175.10 174.26 1rq9 s PRO 63 N 0.47 4.22 -0.06 2.72 0.02 -1.26 0.08 135.00 141.19 1rq9 s PRO 63 Ca 0.15 2.03 -0.20 0.00 0.02 0.00 0.00 61.00 63.00 1rq9 s PRO 63 Cb -0.13 -2.90 0.04 0.00 0.02 0.00 0.00 34.50 31.54 1rq9 s PRO 63 CO 0.03 -0.24 0.46 0.42 -0.33 0.00 0.00 177.00 177.34 1rq9 s ILE 64 N -1.25 0.03 -0.13 2.83 1.01 0.00 -4.56 121.20 119.12 1rq9 s ILE 64 Ca 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1rq9 s ILE 64 Cb -0.36 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1rq9 s ILE 64 CO 0.46 -0.13 -0.08 -1.61 0.00 0.00 0.00 174.94 173.58 1rq9 s GLU 65 N -1.00 3.44 -0.16 2.79 2.02 -1.13 -1.96 118.70 122.70 1rq9 s GLU 65 Ca -0.10 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1rq9 s GLU 65 Cb -0.03 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.48 1rq9 s GLU 65 CO 0.05 0.29 0.03 0.42 0.02 0.00 0.00 175.26 176.08 1rq9 s ILE 66 N 0.19 0.45 -0.84 -1.63 1.01 -0.70 -0.41 121.20 119.27 1rq9 s ILE 66 Ca -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1rq9 s ILE 66 Cb -0.14 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1rq9 s ILE 66 CO 0.04 -0.09 0.56 0.00 0.00 0.00 0.00 174.94 175.44 1rq9 n GLY 68 N -1.66 0.92 3.23 0.00 0.00 -1.26 -4.93 105.19 101.49 1rq9 n GLY 68 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1rq9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rq9 s HIS 69 N -1.74 3.15 -0.09 1.61 4.02 0.96 -5.09 115.29 118.11 1rq9 s HIS 69 Ca 0.00 -1.49 -0.19 0.00 1.02 0.00 0.00 55.06 54.39 1rq9 s HIS 69 Cb 0.00 -2.14 -0.04 0.00 -1.02 0.00 0.00 32.58 29.38 1rq9 s HIS 69 CO 0.00 -0.71 0.54 0.15 1.02 0.00 0.00 174.74 175.73 1rq9 s LYS 70 N 1.35 4.35 0.30 1.40 1.02 -1.26 -1.72 119.74 125.18 1rq9 s LYS 70 Ca -0.01 0.57 -0.06 0.00 0.02 0.00 0.00 55.97 56.50 1rq9 s LYS 70 Cb -0.18 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1rq9 s LYS 70 CO -0.01 0.18 0.46 0.54 -0.92 0.00 0.00 175.35 175.60 1rq9 s VAL 71 N 0.51 0.00 -0.01 3.17 0.11 -0.83 -5.02 120.40 118.34 1rq9 s VAL 71 Ca 0.29 -1.55 0.06 0.00 -2.93 0.00 0.00 61.98 57.85 1rq9 s VAL 71 Cb -0.16 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.17 1rq9 s VAL 71 CO 0.13 0.00 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.09 1rq9 s ILE 72 N -3.41 1.42 -0.26 7.04 1.09 -1.26 -0.82 121.20 125.00 1rq9 s ILE 72 Ca 0.28 -0.82 -0.35 0.00 -1.10 0.00 0.00 60.65 58.66 1rq9 s ILE 72 Cb -0.00 -1.19 0.16 0.00 -1.06 0.00 0.00 42.46 40.37 1rq9 s ILE 72 CO 0.16 0.36 1.33 -0.83 -0.10 0.00 0.00 174.94 175.86 1rq9 s GLY 73 N -0.52 -0.16 0.22 6.18 0.00 0.11 -4.80 107.32 108.35 1rq9 s GLY 73 Ca 0.07 2.06 -0.31 0.00 0.00 0.00 0.00 44.72 46.53 1rq9 s GLY 73 CO -0.00 0.73 1.62 -1.59 0.00 0.00 0.00 173.10 173.85 1rq9 s THR 74 N -1.87 2.28 -0.07 0.90 2.01 -1.26 -0.55 115.64 117.08 1rq9 s THR 74 Ca 0.10 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1rq9 s THR 74 Cb -0.01 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.40 1rq9 s THR 74 CO -0.04 0.02 0.05 -0.69 -0.69 0.00 0.00 174.62 173.27 1rq9 s VAL 75 N 0.78 0.03 0.15 3.82 1.01 -1.04 -4.66 120.40 120.50 1rq9 s VAL 75 Ca 0.69 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.63 1rq9 s VAL 75 Cb -0.47 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1rq9 s VAL 75 CO 0.36 0.13 0.89 -0.76 0.00 0.00 0.00 175.10 175.72 1rq9 s LEU 76 N 2.11 4.56 -0.10 3.92 1.43 0.11 -3.31 118.68 127.39 1rq9 s LEU 76 Ca 0.04 1.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 1rq9 s LEU 76 Cb -0.13 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1rq9 s LEU 76 CO -0.04 0.07 -0.19 -0.69 0.23 0.00 0.00 176.35 175.73 1rq9 s VAL 77 N -0.61 2.52 -4.16 -1.59 1.01 0.54 -0.37 120.40 117.74 1rq9 s VAL 77 Ca 0.42 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1rq9 s VAL 77 Cb -0.24 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1rq9 s VAL 77 CO 0.29 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1rq9 n GLY 78 N 3.35 -1.40 3.57 4.51 0.00 -0.34 -0.55 105.19 114.33 1rq9 n GLY 78 Ca -0.18 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 1rq9 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rq9 s PRO 79 N -1.68 2.76 -0.07 1.61 0.04 -1.26 -2.92 135.00 133.48 1rq9 s PRO 79 Ca 0.00 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1rq9 s PRO 79 Cb 0.00 -4.39 0.03 0.00 0.04 0.00 0.00 34.50 30.18 1rq9 s PRO 79 CO 0.00 -2.53 -0.01 -0.08 0.04 0.00 0.00 177.00 174.42 1rq9 s THR 80 N 9.22 0.42 0.26 1.26 -1.32 -1.26 -5.00 115.64 119.22 1rq9 s THR 80 Ca 0.85 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.42 1rq9 s THR 80 Cb -0.20 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1rq9 s THR 80 CO 0.28 0.26 0.59 -2.65 -2.21 0.00 0.00 174.62 170.90 1rq9 n PRO 81 N 5.07 0.01 -3.61 7.08 -0.02 -1.26 -4.48 135.00 137.79 1rq9 n PRO 81 Ca -0.08 0.38 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1rq9 n PRO 81 Cb 0.50 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 1rq9 n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rq9 s ALA 82 N -2.47 -2.11 -0.42 3.55 0.00 -1.26 -5.11 121.76 113.94 1rq9 s ALA 82 Ca 0.00 1.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 1rq9 s ALA 82 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1rq9 s ALA 82 CO 0.00 -0.78 0.88 -0.80 0.00 0.00 0.00 175.76 175.06 1rq9 s ASN 83 N -2.50 6.54 -0.02 0.00 0.01 -1.26 -4.72 114.94 112.99 1rq9 s ASN 83 Ca 0.11 0.24 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1rq9 s ASN 83 Cb 0.01 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 1rq9 s ASN 83 CO -0.04 -0.92 -0.10 0.68 -1.51 0.00 0.00 177.10 175.21 1rq9 s VAL 84 N 3.48 3.39 -0.48 1.60 -7.23 -1.09 0.86 120.40 120.93 1rq9 s VAL 84 Ca 0.35 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.69 1rq9 s VAL 84 Cb -0.11 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.54 1rq9 s VAL 84 CO 0.22 0.48 0.33 -0.63 -0.31 0.00 0.00 175.10 175.19 1rq9 s ILE 85 N -0.88 3.97 1.02 -0.62 1.01 -0.11 -3.06 121.20 122.53 1rq9 s ILE 85 Ca 0.14 -1.97 -0.17 0.00 0.00 0.00 0.00 60.65 58.66 1rq9 s ILE 85 Cb -0.11 -3.63 0.23 0.00 0.01 0.00 0.00 42.46 38.96 1rq9 s ILE 85 CO 0.04 -0.77 1.32 -0.83 0.00 0.00 0.00 174.94 174.70 1rq9 s GLY 86 N 2.29 1.79 0.34 6.18 0.00 -1.16 -1.70 107.32 115.06 1rq9 s GLY 86 Ca 0.08 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.60 1rq9 s GLY 86 CO -0.02 -0.44 1.83 3.21 0.00 0.00 0.00 173.10 177.67 1rq9 h ARG 87 N -1.86 0.69 -0.23 2.90 3.08 -0.99 -1.58 114.38 116.40 1rq9 h ARG 87 Ca -0.44 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.62 1rq9 h ARG 87 Cb 1.22 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 1rq9 h ARG 87 CO 0.33 0.46 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.63 1rq9 h ASN 88 N 0.71 -0.34 0.51 7.04 -1.07 -1.81 -0.15 115.58 120.48 1rq9 h ASN 88 Ca 0.51 0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.97 1rq9 h ASN 88 Cb 0.85 0.19 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 1rq9 h ASN 88 CO -0.28 -0.13 -0.02 0.18 0.07 0.00 0.00 177.43 177.25 1rq9 n LEU 89 N -5.26 0.08 -0.05 6.14 4.32 -0.68 -2.91 117.00 118.63 1rq9 n LEU 89 Ca -0.01 0.22 -0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1rq9 n LEU 89 Cb 0.18 -0.25 -0.14 0.00 -1.62 0.00 0.00 43.42 41.58 1rq9 n LEU 89 CO 0.21 0.01 -0.84 0.23 -1.22 0.00 0.00 177.39 175.79 1rq9 n MET 90 N -1.22 0.67 0.09 3.23 2.81 -0.65 -3.69 117.12 118.35 1rq9 n MET 90 Ca 0.15 0.18 -0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1rq9 n MET 90 Cb 0.24 -1.67 -0.08 0.00 -0.71 0.00 0.00 33.22 30.99 1rq9 n MET 90 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1rq9 h THR 91 N 0.01 0.94 -0.79 2.03 1.35 -1.04 0.61 112.91 116.02 1rq9 h THR 91 Ca -0.41 -0.71 0.23 0.00 -0.55 0.00 0.00 66.41 64.97 1rq9 h THR 91 Cb 2.08 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 69.83 1rq9 h THR 91 CO 0.05 0.16 0.59 1.56 -0.25 0.00 0.00 175.52 177.62 1rq9 h GLN 92 N -0.59 0.00 -0.15 4.72 1.08 -1.71 0.57 115.11 119.04 1rq9 h GLN 92 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1rq9 h GLN 92 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1rq9 h GLN 92 CO 0.04 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.36 1rq9 n ILE 93 N -4.24 0.18 -2.38 2.54 -5.35 -1.01 -4.94 119.36 104.16 1rq9 n ILE 93 Ca 0.16 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 1rq9 n ILE 93 Cb 0.88 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1rq9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rq9 n GLY 94 N 1.25 -0.13 3.76 3.28 0.00 0.20 -5.00 105.19 108.55 1rq9 n GLY 94 Ca 0.17 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1rq9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rq9 s THR 96 N -0.06 1.13 -0.11 0.00 -4.23 -1.26 -4.62 115.64 106.49 1rq9 s THR 96 Ca 0.31 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1rq9 s THR 96 Cb -0.18 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1rq9 s THR 96 CO 0.17 -0.02 0.04 -0.22 -0.54 0.00 0.00 174.62 174.05 1rq9 s LEU 97 N -3.46 3.77 -0.04 4.79 2.96 -1.26 -5.10 118.68 120.34 1rq9 s LEU 97 Ca 0.36 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.41 1rq9 s LEU 97 Cb 0.08 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1rq9 s LEU 97 CO 0.15 0.34 0.14 0.20 -1.32 0.00 0.00 176.35 175.86 1rq9 s ASN 98 N -0.67 -0.09 0.00 3.68 0.01 -1.26 -5.31 114.94 111.31 1rq9 s ASN 98 Ca 0.11 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1rq9 s ASN 98 Cb -0.12 0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1rq9 s ASN 98 CO 0.02 -0.14 0.00 2.22 -1.51 0.00 0.00 177.10 177.69