#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s PHE 6 N 0.00 3.25 0.06 2.11 2.99 -1.26 -4.61 117.98 120.52 1xmq s PHE 6 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 56.93 56.81 1xmq s PHE 6 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 43.02 40.81 1xmq s PHE 6 CO 0.00 0.08 0.55 -2.00 -0.00 0.00 0.00 175.22 173.84 1xmq s GLU 7 N 0.69 4.16 -0.24 0.44 2.12 0.20 -4.89 118.70 121.19 1xmq s GLU 7 Ca 0.05 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.09 1xmq s GLU 7 Cb -0.13 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.08 1xmq s GLU 7 CO 0.02 0.65 -0.14 -2.00 -0.54 0.00 0.00 175.26 173.25 1xmq s GLU 8 N -1.11 2.46 -0.08 4.30 2.12 -1.26 -1.11 118.70 124.02 1xmq s GLU 8 Ca 0.28 -1.19 0.01 0.00 0.36 0.00 0.00 54.97 54.44 1xmq s GLU 8 Cb -0.19 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1xmq s GLU 8 CO 0.18 -0.46 -0.10 0.15 -0.54 0.00 0.00 175.26 174.50 1xmq s LYS 9 N 1.16 2.81 -0.39 4.30 1.02 0.19 -4.97 119.74 123.86 1xmq s LYS 9 Ca -0.05 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.18 1xmq s LYS 9 Cb -0.18 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1xmq s LYS 9 CO -0.07 0.57 0.36 1.41 -0.92 0.00 0.00 175.35 176.70 1xmq s MET 10 N -0.58 3.21 0.05 1.68 -2.45 -1.26 0.81 119.30 120.77 1xmq s MET 10 Ca 0.08 -0.74 -0.32 0.00 -1.25 0.00 0.00 55.69 53.46 1xmq s MET 10 Cb -0.12 -3.91 -0.18 0.00 1.25 0.00 0.00 34.83 31.87 1xmq s MET 10 CO 0.02 -0.70 1.47 0.82 1.05 0.00 0.00 175.02 177.68 1xmq h ILE 11 N 5.63 0.23 -1.97 10.11 1.08 -0.82 -3.48 117.51 128.29 1xmq h ILE 11 Ca -0.28 -0.12 0.19 0.00 -0.39 0.00 0.00 64.86 64.26 1xmq h ILE 11 Cb 1.13 0.26 -0.14 0.00 -3.07 0.00 0.00 36.82 35.00 1xmq h ILE 11 CO 0.73 0.01 0.62 -1.48 -0.69 0.00 0.00 178.15 177.35 1xmq s LEU 12 N -9.89 -0.22 -0.01 1.44 -0.00 -1.21 -5.00 118.68 103.80 1xmq s LEU 12 Ca -0.17 -0.11 0.01 0.00 -0.00 0.00 0.00 54.13 53.86 1xmq s LEU 12 Cb 0.03 1.80 0.00 0.00 -0.00 0.00 0.00 46.19 48.01 1xmq s LEU 12 CO 0.57 -0.54 -0.03 0.27 -0.00 0.00 0.00 176.35 176.62 1xmq s ILE 13 N -2.88 0.25 0.13 1.48 -4.36 -1.26 -1.21 121.20 113.37 1xmq s ILE 13 Ca 0.09 -0.10 0.07 0.00 -0.26 0.00 0.00 60.65 60.45 1xmq s ILE 13 Cb -0.00 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 43.43 1xmq s ILE 13 CO -0.05 0.09 -0.16 0.00 0.24 0.00 0.00 174.94 175.06 1xmq s ARG 14 N 0.15 1.11 0.13 0.37 1.70 -0.69 -4.95 118.95 116.76 1xmq s ARG 14 Ca -0.01 -1.27 0.09 0.00 -0.47 0.00 0.00 55.73 54.07 1xmq s ARG 14 Cb -0.04 -1.10 -0.16 0.00 -0.57 0.00 0.00 34.95 33.08 1xmq s ARG 14 CO -0.00 0.22 1.23 -0.09 -1.08 0.00 0.00 175.30 175.58 1xmq h ARG 15 N 3.54 0.00 -1.71 3.89 1.12 -1.90 -1.92 114.38 117.40 1xmq h ARG 15 Ca -0.41 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.49 1xmq h ARG 15 Cb 1.20 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.14 1xmq h ARG 15 CO 0.49 0.84 -0.19 -2.37 -3.11 0.00 0.00 179.97 175.63 1xmq n THR 16 N -3.28 -0.26 -3.62 0.20 5.66 -1.26 -3.03 114.28 108.69 1xmq n THR 16 Ca -0.02 0.18 -0.15 0.00 -3.05 0.00 0.00 64.05 61.02 1xmq n THR 16 Cb 0.91 -0.29 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1xmq n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xmq s ALA 17 N -4.67 -1.64 0.28 1.79 0.00 -1.26 -3.43 121.76 112.83 1xmq s ALA 17 Ca 0.00 1.66 0.12 0.00 0.00 0.00 0.00 51.96 53.74 1xmq s ALA 17 Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1xmq s ALA 17 CO 0.00 -0.33 -0.19 0.50 0.00 0.00 0.00 175.76 175.74 1xmq s ARG 18 N -0.12 1.67 -0.09 0.00 3.52 -0.62 -4.95 118.95 118.36 1xmq s ARG 18 Ca -0.03 -1.77 0.02 0.00 -0.13 0.00 0.00 55.73 53.82 1xmq s ARG 18 Cb -0.03 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 1xmq s ARG 18 CO 0.03 0.32 -0.14 -1.64 -0.81 0.00 0.00 175.30 173.06 1xmq s MET 19 N -3.52 2.95 0.37 5.12 -1.94 -1.26 -0.39 119.30 120.63 1xmq s MET 19 Ca 0.30 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 53.64 1xmq s MET 19 Cb -0.05 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 1xmq s MET 19 CO 0.15 0.41 0.19 -0.65 -0.01 0.00 0.00 175.02 175.11 1xmq s GLN 20 N -0.17 1.85 0.64 2.03 -1.52 -0.64 -4.97 119.66 116.88 1xmq s GLN 20 Ca -0.00 -2.11 -0.14 0.00 -1.95 0.00 0.00 55.36 51.16 1xmq s GLN 20 Cb -0.13 -0.19 -0.01 0.00 -0.22 0.00 0.00 33.01 32.46 1xmq s GLN 20 CO 0.03 -0.56 1.07 0.00 -0.25 0.00 0.00 175.29 175.59 1xmq s ALA 21 N -3.33 2.62 0.00 6.09 0.00 -1.26 -3.02 121.76 122.86 1xmq s ALA 21 Ca 0.31 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1xmq s ALA 21 Cb 0.02 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1xmq s ALA 21 CO 0.20 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1xmq n GLY 22 N -1.05 1.79 0.00 0.00 0.00 -1.26 -4.88 105.19 99.79 1xmq n GLY 22 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xmq n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmq n GLY 23 N 0.00 -0.70 3.89 -0.02 0.00 -1.17 -5.14 105.19 102.06 1xmq n GLY 23 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1xmq n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 24 N -1.26 3.68 -0.27 1.61 0.52 -1.26 -1.62 118.95 120.36 1xmq s ARG 24 Ca 0.00 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.43 1xmq s ARG 24 Cb 0.00 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 33.05 1xmq s ARG 24 CO 0.00 0.05 0.05 1.03 0.02 0.00 0.00 175.30 176.45 1xmq s ARG 25 N -3.84 0.89 0.69 3.54 1.81 0.47 -4.90 118.95 117.61 1xmq s ARG 25 Ca 0.48 -0.93 -0.11 0.00 -1.72 0.00 0.00 55.73 53.45 1xmq s ARG 25 Cb -0.10 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 32.22 1xmq s ARG 25 CO 0.32 -0.83 1.07 -0.06 -0.68 0.00 0.00 175.30 175.13 1xmq s PHE 26 N 1.61 3.28 0.31 -0.53 0.40 -1.26 -1.58 117.98 120.20 1xmq s PHE 26 Ca 0.04 1.23 -0.04 0.00 -0.60 0.00 0.00 56.93 57.56 1xmq s PHE 26 Cb -0.18 -2.93 -0.00 0.00 0.51 0.00 0.00 43.02 40.42 1xmq s PHE 26 CO -0.17 -1.15 0.43 1.03 0.70 0.00 0.00 175.22 176.07 1xmq s ARG 27 N -5.19 1.75 0.00 0.44 0.52 -1.17 -4.84 118.95 110.45 1xmq s ARG 27 Ca 0.58 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1xmq s ARG 27 Cb -0.12 0.43 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 1xmq s ARG 27 CO 0.54 -0.71 -0.01 -0.06 0.02 0.00 0.00 175.30 175.08 1xmq s PHE 28 N -3.41 0.07 -0.05 -0.53 0.40 0.09 -4.03 117.98 110.53 1xmq s PHE 28 Ca 0.30 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.61 1xmq s PHE 28 Cb 0.00 -0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.48 1xmq s PHE 28 CO 0.17 -0.03 -0.24 0.20 0.70 0.00 0.00 175.22 176.03 1xmq s GLY 29 N -0.21 1.23 -0.08 4.36 0.00 -0.72 -1.22 107.32 110.68 1xmq s GLY 29 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1xmq s GLY 29 CO -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 173.10 172.33 1xmq s ALA 30 N -0.18 1.43 -0.29 3.20 0.00 0.90 -1.70 121.76 125.12 1xmq s ALA 30 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1xmq s ALA 30 Cb -0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1xmq s ALA 30 CO 0.03 0.09 0.12 -1.17 0.00 0.00 0.00 175.76 174.83 1xmq s LEU 31 N 0.70 3.88 -0.06 0.00 0.20 -0.35 -1.62 118.68 121.43 1xmq s LEU 31 Ca -0.13 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.29 1xmq s LEU 31 Cb -0.16 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 1xmq s LEU 31 CO 0.03 -0.14 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.13 1xmq s VAL 32 N 1.61 1.19 -0.10 1.68 1.01 0.69 -0.03 120.40 126.44 1xmq s VAL 32 Ca 0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1xmq s VAL 32 Cb -0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1xmq s VAL 32 CO 0.05 0.36 0.18 -0.69 0.00 0.00 0.00 175.10 175.01 1xmq s VAL 33 N 0.55 5.43 -0.03 2.92 1.01 0.24 -0.63 120.40 129.89 1xmq s VAL 33 Ca -0.13 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1xmq s VAL 33 Cb -0.15 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1xmq s VAL 33 CO 0.04 0.61 -0.01 0.54 0.00 0.00 0.00 175.10 176.28 1xmq s VAL 34 N -1.02 0.24 0.18 2.92 0.11 0.13 0.57 120.40 123.53 1xmq s VAL 34 Ca 0.16 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.11 1xmq s VAL 34 Cb -0.13 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1xmq s VAL 34 CO 0.05 0.16 0.45 -0.83 -3.33 0.00 0.00 175.10 171.60 1xmq s GLY 35 N 0.98 0.08 0.00 6.54 0.00 -0.27 0.69 107.32 115.33 1xmq s GLY 35 Ca -0.10 -0.42 0.24 0.00 0.00 0.00 0.00 44.72 44.43 1xmq s GLY 35 CO -0.01 -0.44 1.29 2.09 0.00 0.00 0.00 173.10 176.03 1xmq n ASP 36 N -0.30 3.07 -1.46 1.64 5.68 -0.48 -0.62 116.55 124.07 1xmq n ASP 36 Ca -0.09 -1.99 -0.19 0.00 -0.50 0.00 0.00 54.79 52.01 1xmq n ASP 36 Cb 0.63 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 1xmq n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xmq n ARG 37 N 1.36 -1.47 -2.37 0.11 1.74 -0.44 -4.79 116.66 110.80 1xmq n ARG 37 Ca 0.15 1.17 -0.00 0.00 -0.77 0.00 0.00 57.85 58.40 1xmq n ARG 37 Cb 0.60 -5.55 0.04 0.00 -1.02 0.00 0.00 32.46 26.53 1xmq n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xmq n GLN 38 N -2.15 1.39 -0.14 5.56 6.02 -1.26 -4.25 117.38 122.56 1xmq n GLN 38 Ca -0.19 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.65 1xmq n GLN 38 Cb 0.66 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1xmq n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xmq n GLY 39 N -0.33 0.59 3.11 1.08 0.00 0.03 -5.00 105.19 104.67 1xmq n GLY 39 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1xmq n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 40 N -0.86 2.72 0.05 1.61 0.52 -1.26 0.16 118.95 121.88 1xmq s ARG 40 Ca 0.00 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1xmq s ARG 40 Cb 0.00 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 1xmq s ARG 40 CO 0.00 -0.35 -0.13 0.08 0.02 0.00 0.00 175.30 174.92 1xmq s VAL 41 N 1.23 0.99 -0.01 3.52 1.01 -0.77 -1.38 120.40 124.98 1xmq s VAL 41 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1xmq s VAL 41 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1xmq s VAL 41 CO -0.09 -0.11 -0.01 -0.83 0.00 0.00 0.00 175.10 174.06 1xmq s GLY 42 N -1.30 0.12 -0.13 4.51 0.00 0.22 -0.30 107.32 110.43 1xmq s GLY 42 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 1xmq s GLY 42 CO 0.01 0.18 0.04 -2.27 0.00 0.00 0.00 173.10 171.06 1xmq s LEU 43 N 0.33 3.74 -0.03 0.66 0.20 -1.20 -0.70 118.68 121.69 1xmq s LEU 43 Ca -0.03 0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.93 1xmq s LEU 43 Cb -0.05 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1xmq s LEU 43 CO -0.01 0.29 -0.01 -0.83 -0.29 0.00 0.00 176.35 175.50 1xmq s GLY 44 N -0.33 0.26 -0.31 7.98 0.00 0.19 -4.11 107.32 111.00 1xmq s GLY 44 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1xmq s GLY 44 CO 0.02 0.50 0.01 -0.12 0.00 0.00 0.00 173.10 173.51 1xmq s PHE 45 N 0.89 3.23 0.07 1.90 5.36 -1.26 -0.22 117.98 127.95 1xmq s PHE 45 Ca -0.09 -2.55 0.09 0.00 -0.96 0.00 0.00 56.93 53.41 1xmq s PHE 45 Cb -0.13 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 1xmq s PHE 45 CO -0.01 -0.90 -0.22 0.20 -1.46 0.00 0.00 175.22 172.82 1xmq s GLY 46 N 1.09 1.53 -0.01 13.12 0.00 -0.64 -4.86 107.32 117.56 1xmq s GLY 46 Ca 0.05 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1xmq s GLY 46 CO -0.09 -1.20 -0.11 0.54 0.00 0.00 0.00 173.10 172.23 1xmq s LYS 47 N -1.56 0.93 0.23 2.90 1.02 -1.26 -0.07 119.74 121.93 1xmq s LYS 47 Ca 0.14 -0.42 -0.19 0.00 0.02 0.00 0.00 55.97 55.52 1xmq s LYS 47 Cb -0.10 -0.90 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1xmq s LYS 47 CO 0.05 0.25 0.60 0.00 -0.92 0.00 0.00 175.35 175.32 1xmq s ALA 48 N -0.29 -1.03 -0.73 5.17 0.00 -0.35 -4.83 121.76 119.70 1xmq s ALA 48 Ca 0.04 -0.25 0.15 0.00 0.00 0.00 0.00 51.96 51.91 1xmq s ALA 48 Cb -0.05 0.88 0.67 0.00 0.00 0.00 0.00 23.12 24.63 1xmq s ALA 48 CO -0.00 -0.89 1.46 -0.35 0.00 0.00 0.00 175.76 175.98 1xmq n PRO 49 N -0.39 0.07 -4.53 0.00 -0.04 -1.26 -0.73 135.00 128.12 1xmq n PRO 49 Ca -0.08 0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1xmq n PRO 49 Cb 0.61 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 1xmq n PRO 49 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xmq s GLU 50 N -3.17 1.03 0.11 0.54 2.02 -1.26 -4.71 118.70 113.26 1xmq s GLU 50 Ca 0.03 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 1xmq s GLU 50 Cb 0.07 -1.01 -0.10 0.00 0.10 0.00 0.00 34.13 33.19 1xmq s GLU 50 CO 0.23 0.27 1.58 0.28 0.02 0.00 0.00 175.26 177.64 1xmq h VAL 51 N 4.72 0.13 -0.48 2.63 2.07 -1.93 -0.72 116.25 122.66 1xmq h VAL 51 Ca -0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1xmq h VAL 51 Cb 1.17 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1xmq h VAL 51 CO 0.47 0.00 -0.22 -0.65 0.02 0.00 0.00 177.57 177.19 1xmq h PRO 52 N -0.65 -0.11 -0.18 1.57 0.11 -1.97 0.76 132.00 131.54 1xmq h PRO 52 Ca 0.03 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1xmq h PRO 52 Cb 0.69 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1xmq h PRO 52 CO -0.27 -0.07 0.08 -0.07 -0.21 0.00 0.00 178.00 177.45 1xmq h LEU 53 N -0.11 0.21 0.49 2.35 3.38 -1.90 0.42 115.31 120.15 1xmq h LEU 53 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xmq h LEU 53 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xmq h LEU 53 CO -0.55 0.19 -0.24 0.00 0.09 0.00 0.00 178.44 177.93 1xmq h ALA 54 N 1.84 -0.68 -0.48 1.53 0.00 0.90 0.17 119.26 122.55 1xmq h ALA 54 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1xmq h ALA 54 Cb 0.04 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1xmq h ALA 54 CO -0.01 -0.63 -0.31 0.28 0.00 0.00 0.00 179.25 178.59 1xmq h VAL 55 N -1.14 0.23 -0.08 0.00 2.07 0.71 0.69 116.25 118.73 1xmq h VAL 55 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1xmq h VAL 55 Cb 0.51 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1xmq h VAL 55 CO 0.11 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 179.04 1xmq h GLN 56 N -0.20 -0.30 -0.68 1.57 7.50 -0.20 0.23 115.11 123.03 1xmq h GLN 56 Ca 0.20 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.45 1xmq h GLN 56 Cb 0.53 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 28.07 1xmq h GLN 56 CO -0.59 -0.20 0.35 -0.22 -1.50 0.00 0.00 178.83 176.67 1xmq h LYS 57 N -0.31 0.61 0.61 1.46 3.64 0.59 0.07 116.57 123.24 1xmq h LYS 57 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1xmq h LYS 57 Cb 0.43 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1xmq h LYS 57 CO -0.26 0.40 -0.46 0.00 -2.27 0.00 0.00 179.45 176.86 1xmq h ALA 58 N 1.38 -1.11 -0.53 5.00 0.00 0.16 0.98 119.26 125.14 1xmq h ALA 58 Ca 0.32 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1xmq h ALA 58 Cb 0.27 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1xmq h ALA 58 CO -0.22 -1.15 -0.37 0.78 0.00 0.00 0.00 179.25 178.29 1xmq h GLY 59 N -1.04 -0.27 -0.15 0.00 0.00 -0.13 0.45 103.07 101.93 1xmq h GLY 59 Ca -0.08 0.47 0.15 0.00 0.00 0.00 0.00 47.33 47.88 1xmq h GLY 59 CO 0.02 -0.19 0.06 -1.82 0.00 0.00 0.00 176.54 174.61 1xmq h TYR 60 N -0.21 0.07 -0.11 5.60 3.20 -0.62 0.13 116.97 125.03 1xmq h TYR 60 Ca 0.20 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1xmq h TYR 60 Cb 0.56 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1xmq h TYR 60 CO -0.63 -0.16 -0.34 1.88 -1.64 0.00 0.00 178.16 177.27 1xmq h TYR 61 N 0.16 0.24 -0.04 -3.82 0.05 0.22 -3.01 116.97 110.77 1xmq h TYR 61 Ca 0.38 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 59.14 1xmq h TYR 61 Cb 0.65 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.29 1xmq h TYR 61 CO -0.34 0.53 -0.16 0.00 -1.05 0.00 0.00 178.16 177.14 1xmq h ALA 62 N 1.47 -0.16 -0.94 3.88 0.00 0.25 -2.03 119.26 121.72 1xmq h ALA 62 Ca 0.02 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1xmq h ALA 62 Cb 0.70 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1xmq h ALA 62 CO 0.05 -0.64 0.60 0.00 0.00 0.00 0.00 179.25 179.26 1xmq h ARG 63 N -0.25 0.76 0.00 0.00 -0.00 -1.29 0.53 114.38 114.13 1xmq h ARG 63 Ca 0.07 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1xmq h ARG 63 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1xmq h ARG 63 CO -0.19 0.50 0.00 0.54 0.00 0.00 0.00 179.97 180.82 1xmq n ARG 64 N -4.61 0.06 -3.82 0.04 5.12 -0.79 -4.14 116.66 108.52 1xmq n ARG 64 Ca 0.19 0.26 -0.29 0.00 -1.93 0.00 0.00 57.85 56.08 1xmq n ARG 64 Cb 0.46 -1.60 -0.13 0.00 -1.16 0.00 0.00 32.46 30.03 1xmq n ARG 64 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1xmq s ASN 65 N -3.37 4.05 -0.12 0.55 2.47 0.18 -5.10 114.94 113.60 1xmq s ASN 65 Ca 0.07 -3.17 -0.03 0.00 0.42 0.00 0.00 52.86 50.15 1xmq s ASN 65 Cb 0.11 -1.37 -0.03 0.00 -1.45 0.00 0.00 41.25 38.50 1xmq s ASN 65 CO 0.34 -0.19 -0.01 -0.04 -3.72 0.00 0.00 177.10 173.48 1xmq s MET 66 N -0.45 3.34 -0.08 0.43 -1.94 -1.26 -3.20 119.30 116.14 1xmq s MET 66 Ca 0.21 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1xmq s MET 66 Cb -0.16 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.79 1xmq s MET 66 CO -0.07 0.48 -0.22 0.08 -0.01 0.00 0.00 175.02 175.29 1xmq s VAL 67 N -0.28 2.31 -0.58 -6.03 1.01 0.59 -4.98 120.40 112.44 1xmq s VAL 67 Ca 0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1xmq s VAL 67 Cb -0.12 -1.88 0.13 0.00 0.00 0.00 0.00 36.38 34.51 1xmq s VAL 67 CO 0.02 0.56 0.56 -0.70 0.00 0.00 0.00 175.10 175.54 1xmq s GLU 68 N -0.05 3.06 0.06 2.72 2.56 -1.26 -1.85 118.70 123.94 1xmq s GLU 68 Ca -0.06 -1.73 -0.29 0.00 0.00 0.00 0.00 54.97 52.89 1xmq s GLU 68 Cb -0.15 -4.31 -0.05 0.00 2.00 0.00 0.00 34.13 31.62 1xmq s GLU 68 CO 0.05 -1.36 0.94 0.08 -0.56 0.00 0.00 175.26 174.41 1xmq s VAL 69 N 1.62 4.66 -1.28 3.70 1.01 0.12 -4.97 120.40 125.27 1xmq s VAL 69 Ca 0.06 2.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.87 1xmq s VAL 69 Cb -0.27 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 31.91 1xmq s VAL 69 CO 0.02 0.27 1.67 -2.84 0.00 0.00 0.00 175.10 174.22 1xmq s PRO 70 N 0.35 4.01 0.51 2.72 0.02 -1.26 -4.57 135.00 136.78 1xmq s PRO 70 Ca 0.47 -2.14 -0.23 0.00 0.02 0.00 0.00 61.00 59.13 1xmq s PRO 70 Cb -0.22 -5.42 -0.06 0.00 0.02 0.00 0.00 34.50 28.82 1xmq s PRO 70 CO 0.28 -2.14 1.33 -0.51 -0.33 0.00 0.00 177.00 175.63 1xmq s LEU 71 N 3.58 3.94 -0.39 -5.54 1.43 -1.26 -4.28 118.68 116.16 1xmq s LEU 71 Ca 0.51 2.70 0.09 0.00 -1.03 0.00 0.00 54.13 56.40 1xmq s LEU 71 Cb 0.02 -4.20 0.28 0.00 0.03 0.00 0.00 46.19 42.32 1xmq s LEU 71 CO 0.06 -1.36 0.61 0.00 0.23 0.00 0.00 176.35 175.89 1xmq n GLN 72 N -0.75 0.79 -1.94 1.70 6.02 0.16 -4.86 117.38 118.50 1xmq n GLN 72 Ca 0.09 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 1xmq n GLN 72 Cb 0.45 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1xmq n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xmq n ASN 73 N 1.11 -1.45 0.00 1.08 4.05 -1.26 -3.80 115.26 115.00 1xmq n ASN 73 Ca 0.21 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1xmq n ASN 73 Cb 0.57 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.18 1xmq n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xmq n GLY 74 N -0.53 0.78 3.47 8.20 0.00 -1.26 -4.82 105.19 111.03 1xmq n GLY 74 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xmq n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xmq s THR 75 N -2.93 0.37 0.22 2.61 -1.32 -1.25 0.41 115.64 113.75 1xmq s THR 75 Ca 0.00 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.40 1xmq s THR 75 Cb 0.00 -2.33 -0.07 0.00 -1.51 0.00 0.00 72.50 68.60 1xmq s THR 75 CO 0.00 0.00 0.51 -0.63 -2.21 0.00 0.00 174.62 172.29 1xmq s ILE 76 N -3.23 5.00 0.48 5.08 1.01 -1.26 -0.66 121.20 127.62 1xmq s ILE 76 Ca 0.26 0.31 0.19 0.00 0.00 0.00 0.00 60.65 61.41 1xmq s ILE 76 Cb 0.01 -3.63 0.24 0.00 0.01 0.00 0.00 42.46 39.09 1xmq s ILE 76 CO 0.18 -0.08 2.08 1.55 0.00 0.00 0.00 174.94 178.67 1xmq h PRO 77 N 2.48 0.00 0.00 2.79 0.13 -1.84 -3.44 132.00 132.13 1xmq h PRO 77 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xmq h PRO 77 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xmq h PRO 77 CO 0.70 0.10 0.01 -2.39 -0.23 0.00 0.00 178.00 176.18 1xmq n HIS 78 N -4.23 -0.80 -3.53 1.56 1.44 -1.26 -5.03 115.22 103.37 1xmq n HIS 78 Ca -0.03 -0.02 -0.33 0.00 -2.01 0.00 0.00 57.72 55.33 1xmq n HIS 78 Cb 0.18 0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 1xmq n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xmq s GLU 79 N -2.00 3.77 -0.09 -1.40 8.01 -1.26 -4.32 118.70 121.41 1xmq s GLU 79 Ca 0.00 0.18 -0.09 0.00 0.01 0.00 0.00 54.97 55.08 1xmq s GLU 79 Cb -0.00 -2.88 0.02 0.00 -4.31 0.00 0.00 34.13 26.97 1xmq s GLU 79 CO 0.00 0.47 0.25 0.96 0.01 0.00 0.00 175.26 176.95 1xmq s ILE 80 N -1.56 0.00 -0.15 -1.63 -4.36 -0.72 -5.01 121.20 107.77 1xmq s ILE 80 Ca 0.39 -0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.77 1xmq s ILE 80 Cb -0.13 -0.35 0.02 0.00 1.25 0.00 0.00 42.46 43.25 1xmq s ILE 80 CO 0.20 -0.00 -0.14 -1.61 0.24 0.00 0.00 174.94 173.63 1xmq s GLU 81 N 0.12 2.23 -0.05 0.37 2.02 -1.26 -0.71 118.70 121.42 1xmq s GLU 81 Ca -0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1xmq s GLU 81 Cb -0.02 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 1xmq s GLU 81 CO 0.00 -0.24 -0.19 0.08 0.02 0.00 0.00 175.26 174.93 1xmq s VAL 82 N 1.51 1.57 -0.20 2.63 1.01 -0.56 -4.98 120.40 121.38 1xmq s VAL 82 Ca 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1xmq s VAL 82 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1xmq s VAL 82 CO -0.11 0.45 -0.03 -1.61 0.00 0.00 0.00 175.10 173.80 1xmq s GLU 83 N -0.02 3.52 -0.35 2.72 2.02 -1.26 -0.49 118.70 124.83 1xmq s GLU 83 Ca -0.03 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1xmq s GLU 83 Cb -0.12 -3.00 0.10 0.00 0.10 0.00 0.00 34.13 31.22 1xmq s GLU 83 CO 0.02 -0.02 0.08 0.12 0.02 0.00 0.00 175.26 175.49 1xmq s PHE 84 N 1.04 3.16 0.00 1.61 5.36 0.25 -4.98 117.98 124.42 1xmq s PHE 84 Ca 0.01 -2.69 0.00 0.00 -0.96 0.00 0.00 56.93 53.30 1xmq s PHE 84 Cb -0.15 -2.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1xmq s PHE 84 CO 0.01 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.26 1xmq n GLY 85 N 4.30 2.24 0.22 13.12 0.00 -1.26 -2.13 105.19 121.67 1xmq n GLY 85 Ca 0.03 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1xmq n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq n ALA 86 N 8.87 3.52 -2.50 4.61 0.00 -1.26 -4.94 120.51 128.81 1xmq n ALA 86 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 1xmq n ALA 86 Cb 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1xmq n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xmq s SER 87 N -2.13 6.85 -0.06 0.00 0.01 -0.91 -0.34 113.70 117.13 1xmq s SER 87 Ca 0.10 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.39 1xmq s SER 87 Cb 0.12 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 64.08 1xmq s SER 87 CO 0.50 0.21 -0.06 -0.75 0.41 0.00 0.00 173.24 173.55 1xmq s LYS 88 N -0.58 1.07 0.02 12.44 2.20 -0.24 0.87 119.74 135.51 1xmq s LYS 88 Ca 0.26 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1xmq s LYS 88 Cb -0.17 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.07 1xmq s LYS 88 CO 0.14 -0.09 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.47 1xmq s ILE 89 N 1.02 3.60 -0.19 5.43 -1.16 0.35 0.49 121.20 130.74 1xmq s ILE 89 Ca -0.09 -0.87 0.01 0.00 -0.51 0.00 0.00 60.65 59.19 1xmq s ILE 89 Cb -0.14 -2.59 0.04 0.00 0.61 0.00 0.00 42.46 40.37 1xmq s ILE 89 CO -0.00 0.34 -0.12 -0.69 -2.81 0.00 0.00 174.94 171.66 1xmq s VAL 90 N -1.04 1.68 -0.19 4.00 1.01 -0.23 -1.50 120.40 124.13 1xmq s VAL 90 Ca 0.18 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1xmq s VAL 90 Cb -0.11 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1xmq s VAL 90 CO 0.09 0.27 0.01 -0.76 0.00 0.00 0.00 175.10 174.70 1xmq s LEU 91 N 1.40 3.36 -0.08 3.92 1.43 0.11 -1.61 118.68 127.21 1xmq s LEU 91 Ca 0.01 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1xmq s LEU 91 Cb -0.15 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1xmq s LEU 91 CO -0.09 0.10 -0.14 -0.75 0.23 0.00 0.00 176.35 175.70 1xmq s LYS 92 N 0.78 1.96 0.37 1.70 2.20 0.28 -1.76 119.74 125.27 1xmq s LYS 92 Ca 0.01 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.86 1xmq s LYS 92 Cb -0.14 -1.62 -0.09 0.00 -1.51 0.00 0.00 37.83 34.47 1xmq s LYS 92 CO 0.02 0.01 1.24 -1.25 -0.36 0.00 0.00 175.35 175.01 1xmq s PRO 93 N 0.74 4.17 0.02 4.03 0.04 -1.26 0.14 135.00 142.88 1xmq s PRO 93 Ca -0.13 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1xmq s PRO 93 Cb -0.16 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 1xmq s PRO 93 CO 0.03 -0.28 -0.03 0.00 0.04 0.00 0.00 177.00 176.75 1xmq s ALA 94 N -1.27 0.17 1.01 8.56 0.00 -1.24 -4.73 121.76 124.27 1xmq s ALA 94 Ca 0.54 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1xmq s ALA 94 Cb -0.35 0.12 0.20 0.00 0.00 0.00 0.00 23.12 23.09 1xmq s ALA 94 CO 0.46 -0.12 1.09 0.00 0.00 0.00 0.00 175.76 177.19 1xmq s ALA 95 N -1.29 0.68 0.68 0.00 0.00 -1.26 -4.54 121.76 116.03 1xmq s ALA 95 Ca -0.13 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1xmq s ALA 95 Cb -0.09 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1xmq s ALA 95 CO -0.01 -3.19 1.28 -2.14 0.00 0.00 0.00 175.76 171.71 1xmq s PRO 96 N -4.58 2.34 0.00 0.00 0.02 -1.26 -2.70 135.00 128.81 1xmq s PRO 96 Ca 0.67 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1xmq s PRO 96 Cb -0.23 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1xmq s PRO 96 CO 0.61 -1.75 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1xmq n GLY 97 N 0.83 3.14 0.07 0.52 0.00 -1.26 -4.86 105.19 103.63 1xmq n GLY 97 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1xmq n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xmq h THR 98 N 0.00 0.97 0.00 2.61 2.02 -1.86 -3.49 112.91 113.16 1xmq h THR 98 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xmq h THR 98 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1xmq h THR 98 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1xmq n GLY 99 N -0.99 -3.17 3.29 2.16 0.00 -1.25 -4.75 105.19 100.48 1xmq n GLY 99 Ca -0.08 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 1xmq n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 100 N -0.57 5.16 -0.80 1.61 1.01 -1.07 -0.87 120.40 124.87 1xmq s VAL 100 Ca 0.00 -2.08 -0.21 0.00 0.00 0.00 0.00 61.98 59.68 1xmq s VAL 100 Cb 0.00 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.21 1xmq s VAL 100 CO 0.00 -0.93 1.09 -0.63 0.00 0.00 0.00 175.10 174.63 1xmq s ILE 101 N 0.80 4.39 0.22 2.22 1.01 -0.67 -4.97 121.20 124.20 1xmq s ILE 101 Ca 0.11 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 1xmq s ILE 101 Cb -0.20 -4.77 0.04 0.00 0.01 0.00 0.00 42.46 37.54 1xmq s ILE 101 CO -0.03 -1.55 0.63 0.00 0.00 0.00 0.00 174.94 173.99 1xmq s ALA 102 N 3.76 -1.30 0.54 9.38 0.00 -1.26 -2.02 121.76 130.86 1xmq s ALA 102 Ca 0.29 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 1xmq s ALA 102 Cb -0.10 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.82 1xmq s ALA 102 CO 0.01 -0.88 1.09 0.20 0.00 0.00 0.00 175.76 176.18 1xmq s GLY 103 N -2.84 2.50 0.42 0.00 0.00 -1.26 -4.68 107.32 101.45 1xmq s GLY 103 Ca 0.07 0.69 0.27 0.00 0.00 0.00 0.00 44.72 45.74 1xmq s GLY 103 CO -0.03 1.03 1.62 0.00 0.00 0.00 0.00 173.10 175.72 1xmq h ALA 104 N 1.14 2.55 0.36 3.20 0.00 -2.01 0.65 119.26 125.15 1xmq h ALA 104 Ca -0.49 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1xmq h ALA 104 Cb 1.24 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xmq h ALA 104 CO 0.57 -1.20 -0.18 0.28 0.00 0.00 0.00 179.25 178.73 1xmq h VAL 105 N 0.11 0.00 -0.95 0.00 2.07 -1.94 -2.92 116.25 112.61 1xmq h VAL 105 Ca 0.81 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.84 1xmq h VAL 105 Cb 2.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 1xmq h VAL 105 CO -0.49 0.00 0.57 -0.65 0.02 0.00 0.00 177.57 177.02 1xmq h PRO 106 N -1.12 0.81 0.11 1.57 0.11 -1.79 -2.76 132.00 128.92 1xmq h PRO 106 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1xmq h PRO 106 Cb 0.38 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1xmq h PRO 106 CO 0.08 0.53 -0.21 -0.09 -0.21 0.00 0.00 178.00 178.11 1xmq h ARG 107 N 0.83 -0.33 -1.05 1.05 2.43 -0.95 0.67 114.38 117.03 1xmq h ARG 107 Ca 0.50 0.02 0.37 0.00 -0.81 0.00 0.00 59.98 60.06 1xmq h ARG 107 Cb 0.63 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.10 1xmq h ARG 107 CO -0.32 -0.22 0.61 0.00 -1.51 0.00 0.00 179.97 178.53 1xmq h ALA 108 N -1.25 2.14 0.10 2.80 0.00 -1.29 0.34 119.26 122.11 1xmq h ALA 108 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xmq h ALA 108 Cb 0.32 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xmq h ALA 108 CO -0.08 -0.80 -0.05 0.82 0.00 0.00 0.00 179.25 179.14 1xmq h ILE 109 N 0.20 1.12 -0.81 0.00 2.04 -1.20 -2.71 117.51 116.15 1xmq h ILE 109 Ca 0.78 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1xmq h ILE 109 Cb 1.97 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.84 1xmq h ILE 109 CO -0.61 0.27 0.53 -0.07 0.00 0.00 0.00 178.15 178.27 1xmq h LEU 110 N -0.71 0.89 -0.07 1.44 3.38 0.15 -0.87 115.31 119.53 1xmq h LEU 110 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xmq h LEU 110 Cb 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xmq h LEU 110 CO 0.02 0.63 -0.03 -0.33 0.09 0.00 0.00 178.44 178.82 1xmq h GLU 111 N 1.05 0.13 0.00 1.13 5.08 -0.50 -0.98 114.58 120.49 1xmq h GLU 111 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1xmq h GLU 111 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xmq h GLU 111 CO -0.08 0.50 0.00 1.28 -1.00 0.00 0.00 179.01 179.71 1xmq n LEU 112 N -4.79 0.59 0.16 1.33 4.77 -1.02 -0.91 117.00 117.13 1xmq n LEU 112 Ca -0.07 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1xmq n LEU 112 Cb 0.25 -0.60 0.41 0.00 -2.33 0.00 0.00 43.42 41.14 1xmq n LEU 112 CO 0.35 -0.58 0.88 0.00 -1.33 0.00 0.00 177.39 176.71 1xmq h ALA 113 N 2.25 1.00 0.00 -1.18 0.00 -0.61 -1.16 119.26 119.56 1xmq h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xmq h ALA 113 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xmq h ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xmq n GLY 114 N 0.79 0.77 3.75 0.00 0.00 -0.09 -0.79 105.19 109.62 1xmq n GLY 114 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1xmq n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 115 N -2.14 4.02 -0.01 1.61 1.01 -0.42 -4.72 120.40 119.74 1xmq s VAL 115 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1xmq s VAL 115 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1xmq s VAL 115 CO 0.00 0.43 -0.01 0.41 0.00 0.00 0.00 175.10 175.93 1xmq n THR 116 N 1.68 0.07 -4.06 3.92 -1.04 0.17 -4.34 114.28 110.68 1xmq n THR 116 Ca -0.01 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.65 1xmq n THR 116 Cb 0.47 -0.66 -0.15 0.00 -1.82 0.00 0.00 70.33 68.17 1xmq n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xmq s ASP 117 N -4.24 4.31 -0.02 8.00 1.01 0.84 -2.61 116.67 123.95 1xmq s ASP 117 Ca -0.02 -1.28 -0.24 0.00 0.71 0.00 0.00 52.55 51.72 1xmq s ASP 117 Cb 0.00 -1.55 0.05 0.00 1.01 0.00 0.00 42.92 42.43 1xmq s ASP 117 CO 0.03 -0.17 0.53 -0.51 0.21 0.00 0.00 175.17 175.26 1xmq s ILE 118 N 1.14 0.02 -0.20 0.77 2.07 -0.05 -3.61 121.20 121.35 1xmq s ILE 118 Ca -0.07 -0.21 -0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1xmq s ILE 118 Cb -0.19 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.53 1xmq s ILE 118 CO -0.06 -0.11 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.02 1xmq s LEU 119 N -1.35 2.74 0.48 8.50 1.43 0.12 -1.67 118.68 128.93 1xmq s LEU 119 Ca -0.11 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1xmq s LEU 119 Cb -0.02 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1xmq s LEU 119 CO 0.06 0.02 0.05 0.28 0.23 0.00 0.00 176.35 176.99 1xmq s THR 120 N 1.24 1.50 -0.30 5.49 -1.32 -0.86 0.10 115.64 121.50 1xmq s THR 120 Ca 0.03 -1.94 -0.18 0.00 -1.21 0.00 0.00 61.69 58.39 1xmq s THR 120 Cb -0.14 -2.43 0.19 0.00 -1.51 0.00 0.00 72.50 68.60 1xmq s THR 120 CO -0.03 0.00 1.22 -0.75 -2.21 0.00 0.00 174.62 172.85 1xmq s LYS 121 N -3.87 0.09 -0.28 7.08 2.47 -0.64 -4.90 119.74 119.69 1xmq s LYS 121 Ca 0.18 0.21 -0.19 0.00 -1.56 0.00 0.00 55.97 54.61 1xmq s LYS 121 Cb 0.04 0.13 -0.02 0.00 -1.46 0.00 0.00 37.83 36.51 1xmq s LYS 121 CO 0.10 -0.04 0.58 -1.21 0.16 0.00 0.00 175.35 174.94 1xmq s GLU 122 N 2.24 4.01 0.40 4.03 2.02 -1.26 -1.07 118.70 129.06 1xmq s GLU 122 Ca -0.01 0.36 0.08 0.00 0.02 0.00 0.00 54.97 55.41 1xmq s GLU 122 Cb -0.03 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.47 1xmq s GLU 122 CO -0.15 -0.45 0.13 -0.51 0.02 0.00 0.00 175.26 174.30 1xmq s LEU 123 N 2.46 3.08 0.00 1.80 1.43 0.18 -4.99 118.68 122.64 1xmq s LEU 123 Ca 0.24 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1xmq s LEU 123 Cb -0.15 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1xmq s LEU 123 CO 0.10 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1xmq n GLY 124 N -1.16 0.50 3.70 -3.19 0.00 -1.26 -1.08 105.19 102.71 1xmq n GLY 124 Ca -0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1xmq n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xmq s SER 125 N -4.00 6.85 -0.17 1.61 0.15 0.54 -4.89 113.70 113.79 1xmq s SER 125 Ca 0.00 2.22 0.06 0.00 0.70 0.00 0.00 55.95 58.92 1xmq s SER 125 Cb 0.00 -2.57 0.42 0.00 -1.71 0.00 0.00 66.02 62.16 1xmq s SER 125 CO 0.00 -0.67 1.30 0.54 1.20 0.00 0.00 173.24 175.60 1xmq n ARG 126 N 4.61 2.63 -1.61 5.44 1.74 -1.26 -3.89 116.66 124.33 1xmq n ARG 126 Ca 0.12 -1.70 -0.46 0.00 -0.77 0.00 0.00 57.85 55.04 1xmq n ARG 126 Cb 0.43 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 1xmq n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xmq n ASN 127 N 0.08 3.27 -0.26 0.55 2.85 -1.26 -4.83 115.26 115.66 1xmq n ASN 127 Ca 0.21 0.62 -0.11 0.00 -0.11 0.00 0.00 54.58 55.19 1xmq n ASN 127 Cb 0.90 -1.43 -0.07 0.00 1.24 0.00 0.00 39.78 40.42 1xmq n ASN 127 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xmq h PRO 128 N 11.87 -0.20 -0.42 1.20 0.13 -1.98 0.17 132.00 142.77 1xmq h PRO 128 Ca -0.42 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1xmq h PRO 128 Cb 1.27 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1xmq h PRO 128 CO 0.96 -0.13 -0.28 0.82 -0.23 0.00 0.00 178.00 179.14 1xmq h ILE 129 N -0.21 0.28 0.00 -3.56 2.04 -2.00 0.78 117.51 114.85 1xmq h ILE 129 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1xmq h ILE 129 Cb 0.53 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1xmq h ILE 129 CO -0.75 0.00 -0.31 0.78 0.00 0.00 0.00 178.15 177.87 1xmq h ASN 130 N -0.20 0.00 -0.19 1.72 2.35 -1.63 -1.24 115.58 116.38 1xmq h ASN 130 Ca 0.19 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1xmq h ASN 130 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1xmq h ASN 130 CO -0.53 0.31 -0.07 0.40 -1.65 0.00 0.00 177.43 175.88 1xmq h ILE 131 N 0.00 1.30 0.03 2.81 1.08 0.69 -1.23 117.51 122.18 1xmq h ILE 131 Ca -0.00 -1.10 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1xmq h ILE 131 Cb 0.59 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1xmq h ILE 131 CO 0.04 0.33 -0.15 0.00 -0.69 0.00 0.00 178.15 177.68 1xmq h ALA 132 N 0.70 -0.20 -0.96 1.87 0.00 -0.53 0.27 119.26 120.42 1xmq h ALA 132 Ca 0.04 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1xmq h ALA 132 Cb 0.54 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1xmq h ALA 132 CO 0.02 -0.65 0.62 1.88 0.00 0.00 0.00 179.25 181.12 1xmq h TYR 133 N -0.26 1.09 -0.35 0.00 0.99 -1.19 -1.17 116.97 116.08 1xmq h TYR 133 Ca 0.04 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1xmq h TYR 133 Cb 0.31 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 1xmq h TYR 133 CO -0.19 0.51 0.08 0.00 -0.00 0.00 0.00 178.16 178.56 1xmq h ALA 134 N 1.52 0.46 -0.27 3.88 0.00 -0.17 -1.53 119.26 123.15 1xmq h ALA 134 Ca 0.44 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1xmq h ALA 134 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xmq h ALA 134 CO -0.19 0.13 0.06 1.15 0.00 0.00 0.00 179.25 180.40 1xmq h THR 135 N 0.41 0.88 -0.33 0.00 2.02 0.45 0.14 112.91 116.48 1xmq h THR 135 Ca 0.11 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1xmq h THR 135 Cb 0.31 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1xmq h THR 135 CO 0.00 0.03 0.07 0.24 0.37 0.00 0.00 175.52 176.23 1xmq h MET 136 N 0.17 0.18 -0.64 6.66 2.07 -1.08 0.15 114.93 122.44 1xmq h MET 136 Ca 0.12 -0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.80 1xmq h MET 136 Cb 0.12 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 29.77 1xmq h MET 136 CO -0.16 0.12 0.42 0.93 1.07 0.00 0.00 176.91 179.30 1xmq h GLU 137 N 0.19 0.65 0.43 1.72 4.39 -0.62 0.12 114.58 121.46 1xmq h GLU 137 Ca 0.15 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1xmq h GLU 137 Cb 0.17 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1xmq h GLU 137 CO -0.20 0.43 -0.21 0.00 -1.16 0.00 0.00 179.01 177.87 1xmq h ALA 138 N 1.65 -0.58 -0.01 3.43 0.00 0.11 -1.54 119.26 122.32 1xmq h ALA 138 Ca 0.27 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xmq h ALA 138 Cb 0.23 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xmq h ALA 138 CO -0.08 -0.72 -0.09 -0.07 0.00 0.00 0.00 179.25 178.28 1xmq h LEU 139 N -0.79 -0.27 -1.81 0.00 3.38 -0.76 -1.13 115.31 113.94 1xmq h LEU 139 Ca -0.06 0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.27 1xmq h LEU 139 Cb 0.54 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1xmq h LEU 139 CO 0.10 -0.13 0.79 -0.09 0.09 0.00 0.00 178.44 179.20 1xmq h ARG 140 N -0.15 0.10 -0.00 1.13 2.43 -0.71 0.25 114.38 117.42 1xmq h ARG 140 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xmq h ARG 140 Cb 0.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1xmq h ARG 140 CO -0.10 0.07 -0.16 1.04 -1.51 0.00 0.00 179.97 179.31 1xmq n GLN 141 N -4.32 0.73 -1.89 0.20 6.02 -0.45 -4.91 117.38 112.77 1xmq n GLN 141 Ca 0.25 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 1xmq n GLN 141 Cb 1.14 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 1xmq n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xmq s LEU 142 N -2.49 4.36 0.26 1.08 1.43 0.87 -5.02 118.68 119.17 1xmq s LEU 142 Ca 0.27 2.81 0.09 0.00 -1.03 0.00 0.00 54.13 56.27 1xmq s LEU 142 Cb 0.20 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 1xmq s LEU 142 CO 0.49 -0.82 -0.15 -0.13 0.23 0.00 0.00 176.35 175.98 1xmq s ARG 143 N -0.34 1.57 0.26 1.70 1.81 -1.26 -4.94 118.95 117.74 1xmq s ARG 143 Ca 0.62 -1.74 0.11 0.00 -1.72 0.00 0.00 55.73 53.00 1xmq s ARG 143 Cb -0.45 -1.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.55 1xmq s ARG 143 CO 0.45 0.21 -0.10 0.99 -0.68 0.00 0.00 175.30 176.17 1xmq s THR 144 N -2.75 2.99 0.25 0.02 2.01 -1.26 -4.68 115.64 112.22 1xmq s THR 144 Ca 0.28 -2.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 1xmq s THR 144 Cb -0.01 -2.57 0.23 0.00 0.01 0.00 0.00 72.50 70.15 1xmq s THR 144 CO 0.12 -0.36 1.72 0.50 -0.69 0.00 0.00 174.62 175.91 1xmq h LYS 145 N 2.16 0.40 -0.37 4.92 3.64 -1.99 -0.25 116.57 125.07 1xmq h LYS 145 Ca -0.43 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1xmq h LYS 145 Cb 1.25 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1xmq h LYS 145 CO 0.59 0.26 0.11 0.00 -2.27 0.00 0.00 179.45 178.15 1xmq h ALA 146 N 1.58 0.42 0.46 5.00 0.00 -1.98 0.19 119.26 124.93 1xmq h ALA 146 Ca 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1xmq h ALA 146 Cb 0.70 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xmq h ALA 146 CO -0.44 -0.28 -0.32 -0.44 0.00 0.00 0.00 179.25 177.76 1xmq h ASP 147 N 0.26 -0.82 -0.91 0.00 5.19 -1.48 0.39 116.42 119.04 1xmq h ASP 147 Ca 0.17 0.06 0.09 0.00 -0.62 0.00 0.00 57.03 56.73 1xmq h ASP 147 Cb 0.17 0.25 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 1xmq h ASP 147 CO -0.19 -0.49 0.56 0.58 -3.12 0.00 0.00 179.24 176.58 1xmq h VAL 148 N -0.76 0.97 0.01 -1.35 2.07 -1.11 0.18 116.25 116.25 1xmq h VAL 148 Ca -0.05 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1xmq h VAL 148 Cb 0.64 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1xmq h VAL 148 CO 0.02 0.17 -0.15 -0.08 0.02 0.00 0.00 177.57 177.56 1xmq h GLU 149 N 0.95 -0.24 -0.05 1.57 4.81 -0.02 0.03 114.58 121.62 1xmq h GLU 149 Ca 0.43 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.71 1xmq h GLU 149 Cb 0.33 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1xmq h GLU 149 CO -0.23 -0.16 -0.34 -0.09 -0.73 0.00 0.00 179.01 177.46 1xmq h ARG 150 N -0.25 -0.45 -0.27 1.92 1.12 0.18 -2.59 114.38 114.05 1xmq h ARG 150 Ca 0.05 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.00 1xmq h ARG 150 Cb 0.31 0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.32 1xmq h ARG 150 CO -0.14 -0.30 -0.07 -0.07 -3.11 0.00 0.00 179.97 176.28 1xmq h LEU 151 N -0.47 -0.26 -0.95 3.80 3.38 -0.35 -2.38 115.31 118.08 1xmq h LEU 151 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xmq h LEU 151 Cb 0.58 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xmq h LEU 151 CO -0.31 -0.09 0.00 0.54 0.09 0.00 0.00 178.44 178.66 1xmq n ARG 152 N -5.24 1.50 0.00 1.13 1.74 -0.04 -4.56 116.66 111.19 1xmq n ARG 152 Ca -0.01 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1xmq n ARG 152 Cb 0.16 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1xmq n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xmq n LYS 153 N -0.00 0.00 -0.84 5.56 4.76 -0.90 -5.05 118.16 121.69 1xmq n LYS 153 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1xmq n LYS 153 Cb 0.26 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 1xmq n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44