#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0g n VAL 2 N 0.00 -5.27 -4.71 3.17 0.31 -1.17 -4.72 118.33 105.94 1x0g n VAL 2 Ca 0.00 0.94 -0.23 0.00 -0.01 0.00 0.00 64.34 65.04 1x0g n VAL 2 Cb 0.00 -3.40 -0.15 0.00 -0.91 0.00 0.00 33.84 29.38 1x0g n VAL 2 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1x0g s GLU 3 N -2.01 1.24 -0.10 5.55 2.02 0.84 -4.98 118.70 121.26 1x0g s GLU 3 Ca 0.00 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1x0g s GLU 3 Cb 0.00 -1.19 -0.02 0.00 0.10 0.00 0.00 34.13 33.01 1x0g s GLU 3 CO 0.00 0.32 -0.10 -0.51 0.02 0.00 0.00 175.26 174.99 1x0g s LEU 4 N -0.34 2.92 0.45 1.80 1.02 -1.26 -0.61 118.68 122.65 1x0g s LEU 4 Ca 0.06 -0.18 -0.21 0.00 0.02 0.00 0.00 54.13 53.81 1x0g s LEU 4 Cb -0.06 -1.64 -0.10 0.00 0.02 0.00 0.00 46.19 44.41 1x0g s LEU 4 CO -0.01 0.26 1.00 0.42 0.02 0.00 0.00 176.35 178.05 1x0g s THR 5 N -0.22 4.03 0.27 5.49 -4.23 -0.93 -4.88 115.64 115.17 1x0g s THR 5 Ca 0.02 1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1x0g s THR 5 Cb -0.13 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.42 1x0g s THR 5 CO 0.03 -0.23 1.81 -0.65 -0.54 0.00 0.00 174.62 175.04 1x0g h PRO 6 N 1.84 0.85 -0.57 3.99 0.11 -1.99 -0.54 132.00 135.70 1x0g h PRO 6 Ca -0.49 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1x0g h PRO 6 Cb 1.20 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 1x0g h PRO 6 CO 0.60 0.56 -0.52 0.00 -0.21 0.00 0.00 178.00 178.44 1x0g h ALA 7 N 1.53 -0.57 -0.80 -0.75 0.00 -1.92 0.32 119.26 117.06 1x0g h ALA 7 Ca 0.48 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.58 1x0g h ALA 7 Cb 0.51 1.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1x0g h ALA 7 CO -0.28 -0.95 0.40 0.00 0.00 0.00 0.00 179.25 178.41 1x0g h ALA 8 N 0.30 1.18 -0.58 0.00 0.00 -1.46 -1.84 119.26 116.85 1x0g h ALA 8 Ca 0.13 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1x0g h ALA 8 Cb 0.56 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1x0g h ALA 8 CO -0.69 -0.09 0.30 0.82 0.00 0.00 0.00 179.25 179.60 1x0g h ILE 9 N 0.60 0.95 -0.52 0.00 1.08 0.58 0.13 117.51 120.33 1x0g h ILE 9 Ca 0.43 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.67 1x0g h ILE 9 Cb 0.57 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1x0g h ILE 9 CO -0.34 0.11 0.20 -0.61 -0.69 0.00 0.00 178.15 176.82 1x0g h GLN 10 N 0.58 0.78 -0.33 2.37 4.15 -0.06 0.28 115.11 122.87 1x0g h GLN 10 Ca 0.26 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 1x0g h GLN 10 Cb 0.16 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1x0g h GLN 10 CO -0.17 0.69 -0.36 1.49 -1.93 0.00 0.00 178.83 178.54 1x0g h GLU 11 N 0.70 0.77 -0.91 1.69 4.57 -1.04 -2.69 114.58 117.67 1x0g h GLU 11 Ca 0.17 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1x0g h GLU 11 Cb 0.20 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1x0g h GLU 11 CO -0.01 1.01 0.55 -0.07 -1.18 0.00 0.00 179.01 179.30 1x0g h LEU 12 N 0.64 1.10 -1.20 1.64 3.38 -0.03 -2.07 115.31 118.77 1x0g h LEU 12 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x0g h LEU 12 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x0g h LEU 12 CO 0.08 0.84 0.00 1.05 0.09 0.00 0.00 178.44 180.51 1x0g h GLU 13 N 1.26 0.00 -0.41 1.13 4.11 -0.83 -2.53 114.58 117.30 1x0g h GLU 13 Ca 0.33 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.65 1x0g h GLU 13 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1x0g h GLU 13 CO -0.06 0.00 -0.16 -0.09 0.07 0.00 0.00 179.01 178.77 1x0g h ARG 14 N 0.00 0.83 0.00 1.06 2.43 -1.05 -3.06 114.38 114.59 1x0g h ARG 14 Ca 0.00 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 1x0g h ARG 14 Cb 0.56 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1x0g h ARG 14 CO 0.00 0.98 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.82 1x0g h LEU 15 N 0.64 0.00 -0.73 3.80 3.38 -1.39 -2.93 115.31 118.08 1x0g h LEU 15 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x0g h LEU 15 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1x0g h LEU 15 CO 0.05 0.46 0.00 1.67 0.09 0.00 0.00 178.44 180.71 1x0g n GLN 16 N -3.17 0.65 -3.84 1.13 0.00 -0.96 -3.75 117.38 107.44 1x0g n GLN 16 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.93 1x0g n GLN 16 Cb 0.72 -1.24 -0.03 0.00 0.00 0.00 0.00 30.24 29.70 1x0g n GLN 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1x0g s THR 17 N -1.27 0.00 0.00 1.69 2.01 -1.11 -4.89 115.64 112.08 1x0g s THR 17 Ca 0.00 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1x0g s THR 17 Cb 0.00 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1x0g s THR 17 CO 0.00 -0.02 0.00 1.41 -0.69 0.00 0.00 174.62 175.32 1x0g n HIS 18 N -0.42 0.00 -2.70 4.92 8.25 -1.26 -4.35 115.22 119.66 1x0g n HIS 18 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.34 1x0g n HIS 18 Cb 0.60 -1.66 0.12 0.00 1.12 0.00 0.00 29.99 30.17 1x0g n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x0g n GLY 19 N 0.03 1.39 0.40 -1.41 0.00 -1.25 -5.03 105.19 99.33 1x0g n GLY 19 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1x0g n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x0g n VAL 20 N -0.64 0.00 -1.77 1.61 0.31 -1.26 -4.27 118.33 112.32 1x0g n VAL 20 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1x0g n VAL 20 Cb 0.85 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.62 1x0g n VAL 20 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1x0g s ARG 21 N -0.92 2.00 -0.05 5.55 1.81 -1.26 -4.73 118.95 121.34 1x0g s ARG 21 Ca 0.00 0.20 -0.05 0.00 -1.72 0.00 0.00 55.73 54.16 1x0g s ARG 21 Cb 0.00 -4.89 -0.03 0.00 -0.45 0.00 0.00 34.95 29.58 1x0g s ARG 21 CO 0.00 -3.99 -0.11 0.54 -0.68 0.00 0.00 175.30 171.06 1x0g n ARG 22 N 8.84 0.18 0.00 3.54 1.74 -1.26 -4.87 116.66 124.83 1x0g n ARG 22 Ca 0.44 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1x0g n ARG 22 Cb 0.45 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 1x0g n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x0g n GLY 23 N 2.58 2.96 2.47 -0.13 0.00 -1.26 -3.99 105.19 107.83 1x0g n GLY 23 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1x0g n GLY 23 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x0g n GLN 24 N -2.00 -1.59 -4.97 1.61 6.02 -1.26 -4.51 117.38 110.68 1x0g n GLN 24 Ca 0.00 1.08 -0.29 0.00 -0.01 0.00 0.00 57.00 57.78 1x0g n GLN 24 Cb 0.00 -5.61 -0.15 0.00 1.02 0.00 0.00 30.24 25.50 1x0g n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x0g s ALA 25 N -2.87 2.09 -0.91 -1.58 0.00 -1.26 -5.03 121.76 112.21 1x0g s ALA 25 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1x0g s ALA 25 Cb 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 23.12 22.54 1x0g s ALA 25 CO 0.00 0.50 2.00 0.00 0.00 0.00 0.00 175.76 178.26 1x0g n ALA 26 N 2.02 3.85 -3.95 0.00 0.00 -1.26 -4.74 120.51 116.44 1x0g n ALA 26 Ca -0.17 -3.30 -0.30 0.00 0.00 0.00 0.00 53.44 49.67 1x0g n ALA 26 Cb 0.52 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.24 1x0g n ALA 26 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x0g s ILE 27 N 4.54 1.66 -0.20 0.00 1.01 -1.26 0.16 121.20 127.10 1x0g s ILE 27 Ca 0.54 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1x0g s ILE 27 Cb 0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1x0g s ILE 27 CO 0.07 0.47 -0.06 -0.22 0.00 0.00 0.00 174.94 175.21 1x0g s LEU 28 N 1.33 2.92 -0.18 2.97 2.96 -0.19 -1.64 118.68 126.85 1x0g s LEU 28 Ca 0.02 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1x0g s LEU 28 Cb -0.13 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1x0g s LEU 28 CO -0.09 0.04 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.31 1x0g s ARG 29 N 1.14 3.45 -0.10 1.98 3.52 0.69 -0.14 118.95 129.49 1x0g s ARG 29 Ca 0.02 -0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 55.00 1x0g s ARG 29 Cb -0.15 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 1x0g s ARG 29 CO -0.01 0.01 -0.07 0.42 -0.81 0.00 0.00 175.30 174.84 1x0g s ILE 30 N 0.94 3.69 0.37 4.11 1.01 0.17 -1.03 121.20 130.46 1x0g s ILE 30 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1x0g s ILE 30 Cb -0.15 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1x0g s ILE 30 CO 0.00 0.56 0.55 0.00 0.00 0.00 0.00 174.94 176.06 1x0g n GLN 31 N 2.72 0.80 -4.64 2.79 10.64 -0.33 -0.72 117.38 128.64 1x0g n GLN 31 Ca -0.18 -2.74 -0.29 0.00 -1.83 0.00 0.00 57.00 51.97 1x0g n GLN 31 Cb 0.53 2.76 -0.10 0.00 -0.86 0.00 0.00 30.24 32.56 1x0g n GLN 31 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1x0g s VAL 32 N -2.69 1.86 -0.13 -0.39 -7.23 -1.26 0.22 120.40 110.77 1x0g s VAL 32 Ca 0.27 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1x0g s VAL 32 Cb -0.02 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 34.09 1x0g s VAL 32 CO 0.19 0.00 0.36 -1.58 -0.31 0.00 0.00 175.10 173.77 1x0g s GLN 33 N -3.74 0.42 0.66 4.82 0.74 0.22 -4.83 119.66 117.95 1x0g s GLN 33 Ca 0.31 0.50 -0.17 0.00 0.05 0.00 0.00 55.36 56.05 1x0g s GLN 33 Cb 0.09 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 34.35 1x0g s GLN 33 CO 0.16 -0.05 0.66 -2.30 -0.55 0.00 0.00 175.29 173.21 1x0g n PRO 34 N 2.88 0.49 -4.15 1.67 -0.02 -1.26 0.08 135.00 134.69 1x0g n PRO 34 Ca -0.13 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1x0g n PRO 34 Cb 0.57 -1.91 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1x0g n PRO 34 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x0g s SER 35 N -1.37 0.86 0.15 2.55 0.15 0.04 -4.45 113.70 111.62 1x0g s SER 35 Ca 0.69 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.97 1x0g s SER 35 Cb -0.39 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1x0g s SER 35 CO 0.54 -0.05 1.36 -0.33 1.20 0.00 0.00 173.24 175.96 1x0g h GLU 36 N 5.24 0.48 -5.78 5.44 4.39 -1.93 -3.42 114.58 119.01 1x0g h GLU 36 Ca -0.32 -0.43 -0.57 0.00 0.34 0.00 0.00 59.36 58.37 1x0g h GLU 36 Cb 1.19 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 1x0g h GLU 36 CO 0.45 1.07 -0.09 0.00 -1.16 0.00 0.00 179.01 179.29 1x0g n GLY 38 N 3.28 2.50 0.26 0.00 0.00 -1.26 -4.26 105.19 105.70 1x0g n GLY 38 Ca -0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1x0g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x0g n ASP 39 N 0.07 2.36 -4.01 1.61 8.00 -0.73 -4.53 116.55 119.32 1x0g n ASP 39 Ca 0.00 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.30 1x0g n ASP 39 Cb 0.00 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.72 1x0g n ASP 39 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x0g s TRP 40 N -2.21 1.04 -0.11 1.24 0.52 -0.88 -0.78 118.94 117.76 1x0g s TRP 40 Ca -0.15 -0.27 -0.07 0.00 0.02 0.00 0.00 56.10 55.62 1x0g s TRP 40 Cb 0.05 -0.74 -0.04 0.00 -1.15 0.00 0.00 33.47 31.58 1x0g s TRP 40 CO 0.23 -0.12 0.15 0.50 0.02 0.00 0.00 176.95 177.73 1x0g s ARG 41 N 0.22 3.46 0.61 4.98 3.52 0.11 -1.33 118.95 130.53 1x0g s ARG 41 Ca -0.04 -0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.27 1x0g s ARG 41 Cb -0.09 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1x0g s ARG 41 CO 0.01 0.78 1.19 0.71 -0.81 0.00 0.00 175.30 177.18 1x0g s TYR 42 N -1.04 2.38 -0.06 5.12 1.51 -1.06 -0.61 117.35 123.60 1x0g s TYR 42 Ca 0.15 1.53 -0.00 0.00 -1.01 0.00 0.00 57.07 57.74 1x0g s TYR 42 Cb -0.12 -3.44 0.03 0.00 -0.11 0.00 0.00 41.96 38.31 1x0g s TYR 42 CO 0.05 -2.18 -0.01 0.34 -1.11 0.00 0.00 175.55 172.63 1x0g s ASP 43 N -1.76 1.25 -0.12 2.29 2.15 0.13 -4.82 116.67 115.80 1x0g s ASP 43 Ca 0.76 -0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.66 1x0g s ASP 43 Cb -0.29 -0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 1x0g s ASP 43 CO 0.35 -0.14 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.27 1x0g s LEU 44 N 1.52 2.39 0.01 -1.34 1.43 -1.26 -1.18 118.68 120.25 1x0g s LEU 44 Ca -0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1x0g s LEU 44 Cb -0.13 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1x0g s LEU 44 CO -0.03 0.15 -0.07 0.00 0.23 0.00 0.00 176.35 176.63 1x0g s ALA 45 N 0.42 0.55 0.08 4.21 0.00 -0.20 -4.98 121.76 121.84 1x0g s ALA 45 Ca -0.14 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 1x0g s ALA 45 Cb -0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1x0g s ALA 45 CO 0.06 0.07 0.77 -0.51 0.00 0.00 0.00 175.76 176.16 1x0g s LEU 46 N -0.70 4.49 0.22 0.00 1.43 -1.26 -0.22 118.68 122.64 1x0g s LEU 46 Ca -0.02 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1x0g s LEU 46 Cb -0.05 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 1x0g s LEU 46 CO 0.00 0.07 0.07 0.68 0.23 0.00 0.00 176.35 177.40 1x0g s VAL 47 N -0.38 0.51 0.10 -1.59 -7.23 -0.65 -4.82 120.40 106.34 1x0g s VAL 47 Ca 0.38 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1x0g s VAL 47 Cb -0.21 -2.42 -0.23 0.00 0.56 0.00 0.00 36.38 34.08 1x0g s VAL 47 CO 0.24 -0.18 1.21 0.00 -0.31 0.00 0.00 175.10 176.06 1x0g h ALA 48 N 2.54 0.30 -2.98 1.32 0.00 -1.79 -3.40 119.26 115.25 1x0g h ALA 48 Ca -0.37 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 53.62 1x0g h ALA 48 Cb 1.23 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1x0g h ALA 48 CO 0.60 1.19 0.19 -1.83 0.00 0.00 0.00 179.25 179.40 1x0g s GLU 49 N -2.69 1.50 0.33 0.00 -1.05 -1.26 -4.64 118.70 110.88 1x0g s GLU 49 Ca -0.01 -0.74 0.07 0.00 -0.15 0.00 0.00 54.97 54.14 1x0g s GLU 49 Cb 0.09 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.35 1x0g s GLU 49 CO 0.84 -0.67 0.44 -1.25 0.95 0.00 0.00 175.26 175.57 1x0g s PRO 50 N -3.84 3.08 0.30 -4.83 0.04 -1.26 -5.05 135.00 123.44 1x0g s PRO 50 Ca 0.06 -1.04 -0.29 0.00 0.04 0.00 0.00 61.00 59.77 1x0g s PRO 50 Cb -0.03 -2.78 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 1x0g s PRO 50 CO -0.04 0.09 1.47 0.15 0.04 0.00 0.00 177.00 178.71 1x0g s LYS 51 N -4.14 4.21 0.47 4.56 1.02 -1.26 -4.87 119.74 119.74 1x0g s LYS 51 Ca 0.44 2.41 0.28 0.00 0.02 0.00 0.00 55.97 59.12 1x0g s LYS 51 Cb -0.09 -3.05 1.34 0.00 -0.52 0.00 0.00 37.83 35.51 1x0g s LYS 51 CO 0.30 -0.46 1.79 -1.35 -0.92 0.00 0.00 175.35 174.72 1x0g h PRO 52 N 4.33 0.18 -0.00 -1.68 0.11 -2.04 -0.38 132.00 132.51 1x0g h PRO 52 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1x0g h PRO 52 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1x0g h PRO 52 CO 0.74 0.12 -0.05 -2.37 -0.21 0.00 0.00 178.00 176.22 1x0g n THR 53 N -4.40 0.00 -1.59 -1.15 5.66 -1.26 -4.93 114.28 106.61 1x0g n THR 53 Ca 0.25 -0.05 -0.30 0.00 -3.05 0.00 0.00 64.05 60.89 1x0g n THR 53 Cb 1.06 -0.20 0.07 0.00 -1.55 0.00 0.00 70.33 69.71 1x0g n THR 53 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1x0g s ASP 54 N -2.32 4.92 -0.37 1.09 1.01 -0.16 -4.41 116.67 116.44 1x0g s ASP 54 Ca 0.34 1.41 -0.15 0.00 0.71 0.00 0.00 52.55 54.86 1x0g s ASP 54 Cb 0.21 -2.21 -0.00 0.00 1.01 0.00 0.00 42.92 41.93 1x0g s ASP 54 CO 0.43 -1.71 0.34 -0.76 0.21 0.00 0.00 175.17 173.68 1x0g s LEU 55 N -5.65 4.63 0.24 1.23 1.43 -0.08 -4.88 118.68 115.59 1x0g s LEU 55 Ca 0.59 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1x0g s LEU 55 Cb -0.14 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 1x0g s LEU 55 CO 0.54 -0.38 0.81 -0.76 0.23 0.00 0.00 176.35 176.80 1x0g s LEU 56 N 1.93 4.40 -0.01 1.79 1.43 -1.26 -1.15 118.68 125.81 1x0g s LEU 56 Ca 0.10 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1x0g s LEU 56 Cb -0.17 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1x0g s LEU 56 CO 0.12 0.04 0.02 -0.89 0.23 0.00 0.00 176.35 175.86 1x0g s THR 57 N -1.46 -0.03 -0.35 5.49 2.01 0.10 -4.97 115.64 116.43 1x0g s THR 57 Ca 0.44 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 1x0g s THR 57 Cb -0.19 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1x0g s THR 57 CO 0.23 0.05 0.34 -1.10 -0.69 0.00 0.00 174.62 173.45 1x0g s GLN 58 N 0.61 3.49 -0.05 4.92 1.11 -1.26 0.63 119.66 129.11 1x0g s GLN 58 Ca -0.05 -0.52 0.01 0.00 0.01 0.00 0.00 55.36 54.81 1x0g s GLN 58 Cb -0.07 -3.82 0.02 0.00 -1.01 0.00 0.00 33.01 28.12 1x0g s GLN 58 CO -0.02 -0.54 -0.06 0.45 0.01 0.00 0.00 175.29 175.13 1x0g s SER 59 N 1.73 1.23 -1.58 5.90 0.15 0.12 -4.93 113.70 116.31 1x0g s SER 59 Ca 0.10 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 1x0g s SER 59 Cb -0.17 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 1x0g s SER 59 CO 0.11 -0.04 0.42 0.00 1.20 0.00 0.00 173.24 174.93 1x0g n GLN 60 N 4.08 -3.87 -1.38 5.44 6.02 -1.26 -0.50 117.38 125.91 1x0g n GLN 60 Ca -0.23 0.90 -0.02 0.00 -0.01 0.00 0.00 57.00 57.64 1x0g n GLN 60 Cb 0.51 -5.69 -0.01 0.00 1.02 0.00 0.00 30.24 26.07 1x0g n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x0g n GLY 61 N -1.34 0.45 3.01 1.08 0.00 -1.26 -5.04 105.19 102.09 1x0g n GLY 61 Ca -0.14 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1x0g n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x0g s TRP 62 N -2.08 1.21 -0.07 1.61 0.52 0.35 -4.86 118.94 115.62 1x0g s TRP 62 Ca 0.00 -0.37 -0.21 0.00 0.02 0.00 0.00 56.10 55.54 1x0g s TRP 62 Cb 0.00 -0.88 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1x0g s TRP 62 CO 0.00 -0.18 0.62 0.99 0.02 0.00 0.00 176.95 178.40 1x0g s THR 63 N 0.42 5.06 -0.18 2.01 2.01 0.12 -0.71 115.64 124.38 1x0g s THR 63 Ca -0.08 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.19 1x0g s THR 63 Cb -0.12 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.46 1x0g s THR 63 CO 0.02 0.30 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 1x0g s ILE 64 N 0.58 2.02 -0.25 1.82 1.09 0.21 -1.02 121.20 125.64 1x0g s ILE 64 Ca 0.33 -0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 58.87 1x0g s ILE 64 Cb -0.17 -1.86 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 1x0g s ILE 64 CO 0.16 0.49 -0.01 0.00 -0.10 0.00 0.00 174.94 175.47 1x0g s ALA 65 N 1.29 2.87 -0.21 9.38 0.00 0.80 0.01 121.76 135.91 1x0g s ALA 65 Ca 0.04 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1x0g s ALA 65 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1x0g s ALA 65 CO -0.12 -0.65 0.10 0.42 0.00 0.00 0.00 175.76 175.51 1x0g s ILE 66 N 1.46 5.02 0.15 0.00 -1.09 -0.30 0.43 121.20 126.87 1x0g s ILE 66 Ca 0.04 0.06 -0.31 0.00 -2.23 0.00 0.00 60.65 58.20 1x0g s ILE 66 Cb -0.16 -3.30 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 1x0g s ILE 66 CO -0.02 0.41 1.78 0.00 -1.23 0.00 0.00 174.94 175.89 1x0g s ALA 67 N 0.67 3.81 0.45 9.38 0.00 0.10 -0.90 121.76 135.27 1x0g s ALA 67 Ca 0.05 1.47 0.14 0.00 0.00 0.00 0.00 51.96 53.63 1x0g s ALA 67 Cb -0.13 -3.74 1.06 0.00 0.00 0.00 0.00 23.12 20.32 1x0g s ALA 67 CO 0.01 -1.12 2.01 0.00 0.00 0.00 0.00 175.76 176.66 1x0g h ALA 68 N 8.02 2.02 0.00 0.00 0.00 -1.92 0.10 119.26 127.48 1x0g h ALA 68 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x0g h ALA 68 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1x0g h ALA 68 CO 0.95 -0.13 0.00 -0.85 0.00 0.00 0.00 179.25 179.22 1x0g n GLU 69 N -4.47 0.16 0.00 0.00 -0.00 -1.26 -2.57 120.64 112.51 1x0g n GLU 69 Ca 0.08 0.28 0.08 0.00 -0.00 0.00 0.00 57.16 57.61 1x0g n GLU 69 Cb 0.33 -1.75 0.04 0.00 -0.00 0.00 0.00 31.44 30.05 1x0g n GLU 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x0g n ALA 70 N -1.71 2.83 -0.23 -1.84 0.00 -0.00 -4.51 120.51 115.07 1x0g n ALA 70 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.91 1x0g n ALA 70 Cb 0.30 -0.59 0.06 0.00 0.00 0.00 0.00 19.45 19.22 1x0g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g n ALA 71 N 0.44 0.07 -0.10 0.00 0.00 -1.06 -0.38 120.51 119.48 1x0g n ALA 71 Ca 0.09 0.65 -0.04 0.00 0.00 0.00 0.00 53.44 54.14 1x0g n ALA 71 Cb 0.39 -0.36 0.17 0.00 0.00 0.00 0.00 19.45 19.66 1x0g n ALA 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x0g h GLU 72 N 0.00 0.77 0.00 0.00 5.08 -1.83 0.19 114.58 118.79 1x0g h GLU 72 Ca 0.27 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x0g h GLU 72 Cb 0.42 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1x0g h GLU 72 CO -0.62 0.78 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 1x0g n LEU 73 N -4.22 0.79 0.00 1.33 4.77 0.49 -4.33 117.00 115.84 1x0g n LEU 73 Ca 0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1x0g n LEU 73 Cb 0.29 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1x0g n LEU 73 CO 0.41 -0.26 -0.13 0.18 -1.33 0.00 0.00 177.39 176.26 1x0g n LEU 74 N -2.26 0.00 -4.71 2.23 4.77 -0.83 -4.70 117.00 111.50 1x0g n LEU 74 Ca 0.05 -0.19 -0.65 0.00 -0.03 0.00 0.00 56.01 55.19 1x0g n LEU 74 Cb 0.39 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1x0g n LEU 74 CO 0.28 0.00 1.10 -1.14 -1.33 0.00 0.00 177.39 176.30 1x0g n ARG 75 N -0.76 0.18 -0.98 3.23 0.63 0.59 -0.60 116.66 118.95 1x0g n ARG 75 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1x0g n ARG 75 Cb 0.00 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.32 1x0g n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x0g n GLY 76 N 3.71 0.67 3.60 5.14 0.00 -1.26 -4.66 105.19 112.38 1x0g n GLY 76 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1x0g n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x0g n LEU 77 N 0.00 2.07 -4.25 0.99 7.94 0.23 -4.47 117.00 119.50 1x0g n LEU 77 Ca 0.00 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.74 1x0g n LEU 77 Cb 0.02 -1.31 -0.16 0.00 0.53 0.00 0.00 43.42 42.50 1x0g n LEU 77 CO 0.00 -1.41 -0.55 -0.13 -1.11 0.00 0.00 177.39 174.20 1x0g s ARG 78 N -1.70 2.07 -0.08 1.96 0.52 -0.29 -0.11 118.95 121.32 1x0g s ARG 78 Ca 0.60 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 55.02 1x0g s ARG 78 Cb -0.65 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1x0g s ARG 78 CO 0.59 0.44 -0.22 0.08 0.02 0.00 0.00 175.30 176.21 1x0g s VAL 79 N -0.37 1.87 0.30 3.52 1.01 0.22 0.08 120.40 127.02 1x0g s VAL 79 Ca 0.04 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1x0g s VAL 79 Cb -0.11 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1x0g s VAL 79 CO 0.01 0.52 -0.04 -0.62 0.00 0.00 0.00 175.10 174.97 1x0g s ASP 80 N 0.25 2.83 -0.08 3.32 2.15 0.32 -2.19 116.67 123.27 1x0g s ASP 80 Ca -0.14 -1.23 0.02 0.00 0.43 0.00 0.00 52.55 51.63 1x0g s ASP 80 Cb -0.16 -0.18 0.01 0.00 -0.30 0.00 0.00 42.92 42.29 1x0g s ASP 80 CO 0.06 -0.38 -0.13 -0.47 -0.17 0.00 0.00 175.17 174.08 1x0g s TYR 81 N -3.01 1.62 -0.17 -5.34 5.04 -1.26 0.04 117.35 114.27 1x0g s TYR 81 Ca 0.31 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.30 1x0g s TYR 81 Cb 0.05 -1.18 0.01 0.00 0.35 0.00 0.00 41.96 41.18 1x0g s TYR 81 CO 0.13 -0.34 -0.17 0.42 -1.34 0.00 0.00 175.55 174.26 1x0g s ILE 82 N 0.77 2.43 0.54 3.14 1.01 -0.29 -4.53 121.20 124.27 1x0g s ILE 82 Ca -0.12 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 1x0g s ILE 82 Cb -0.16 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1x0g s ILE 82 CO 0.02 0.52 1.36 -1.61 0.00 0.00 0.00 174.94 175.24 1x0g s GLU 83 N 1.03 3.16 0.37 2.79 0.41 -1.26 -1.85 118.70 123.34 1x0g s GLU 83 Ca -0.01 2.24 -0.04 0.00 -0.41 0.00 0.00 54.97 56.75 1x0g s GLU 83 Cb -0.15 -2.27 0.02 0.00 -1.78 0.00 0.00 34.13 29.95 1x0g s GLU 83 CO -0.05 -1.18 0.55 0.16 -0.49 0.00 0.00 175.26 174.26 1x0g s ASP 84 N -0.93 0.86 0.61 -0.19 1.47 -1.26 -4.84 116.67 112.39 1x0g s ASP 84 Ca 0.71 -1.48 0.40 0.00 1.18 0.00 0.00 52.55 53.36 1x0g s ASP 84 Cb -0.41 0.72 2.09 0.00 -0.34 0.00 0.00 42.92 44.99 1x0g s ASP 84 CO 0.48 -1.41 2.23 -0.07 0.68 0.00 0.00 175.17 177.08 1x0g h LEU 85 N 2.05 0.00 0.00 2.11 3.38 -1.96 -0.56 115.31 120.33 1x0g h LEU 85 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1x0g h LEU 85 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1x0g h LEU 85 CO 0.39 0.00 0.00 0.23 0.09 0.00 0.00 178.44 179.15 1x0g n MET 86 N -3.00 0.79 0.00 1.13 2.81 -1.26 -4.91 117.12 112.68 1x0g n MET 86 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1x0g n MET 86 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1x0g n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0g n GLY 87 N 1.06 3.14 0.00 3.03 0.00 -0.22 -4.99 105.19 107.21 1x0g n GLY 87 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1x0g n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x0g n GLY 88 N -1.43 1.81 3.58 -0.02 0.00 -1.25 -4.61 105.19 103.27 1x0g n GLY 88 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1x0g n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0g s ALA 89 N -1.40 -1.81 0.53 4.61 0.00 -0.77 -4.76 121.76 118.15 1x0g s ALA 89 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.42 1x0g s ALA 89 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1x0g s ALA 89 CO 0.00 -0.34 1.23 -0.06 0.00 0.00 0.00 175.76 176.59 1x0g s PHE 90 N -0.44 2.56 0.12 0.00 0.40 -1.26 -1.14 117.98 118.22 1x0g s PHE 90 Ca -0.05 1.48 0.10 0.00 -0.60 0.00 0.00 56.93 57.86 1x0g s PHE 90 Cb -0.02 -3.53 -0.04 0.00 0.51 0.00 0.00 43.02 39.94 1x0g s PHE 90 CO 0.04 -2.11 -0.24 1.03 0.70 0.00 0.00 175.22 174.64 1x0g s ARG 91 N -2.96 1.26 -0.03 0.44 1.81 0.11 -4.88 118.95 114.69 1x0g s ARG 91 Ca 0.70 -1.26 0.03 0.00 -1.72 0.00 0.00 55.73 53.48 1x0g s ARG 91 Cb -0.32 -1.63 -0.00 0.00 -0.45 0.00 0.00 34.95 32.54 1x0g s ARG 91 CO 0.38 0.38 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.19 1x0g s PHE 92 N -1.15 1.29 -0.22 -0.53 0.40 -1.26 -0.52 117.98 115.99 1x0g s PHE 92 Ca 0.10 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1x0g s PHE 92 Cb -0.10 -0.89 0.05 0.00 0.51 0.00 0.00 43.02 42.59 1x0g s PHE 92 CO 0.05 -0.12 -0.12 -1.01 0.70 0.00 0.00 175.22 174.73 1x0g s HIS 93 N 0.09 2.73 -0.26 0.36 3.76 0.11 -4.99 115.29 117.09 1x0g s HIS 93 Ca -0.03 -1.84 0.03 0.00 -0.15 0.00 0.00 55.06 53.07 1x0g s HIS 93 Cb -0.09 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 31.89 1x0g s HIS 93 CO 0.01 -0.80 -0.10 1.21 -0.85 0.00 0.00 174.74 174.22 1x0g s ASN 94 N 1.29 4.40 0.60 1.40 3.84 -1.26 -1.14 114.94 124.06 1x0g s ASN 94 Ca -0.03 -1.41 0.29 0.00 0.21 0.00 0.00 52.86 51.92 1x0g s ASN 94 Cb -0.17 -1.51 1.60 0.00 -0.55 0.00 0.00 41.25 40.62 1x0g s ASN 94 CO -0.08 -0.21 2.01 -0.65 -2.79 0.00 0.00 177.10 175.39 1x0g h PRO 95 N 7.78 0.00 -0.00 0.43 0.11 -1.83 0.88 132.00 139.37 1x0g h PRO 95 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1x0g h PRO 95 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1x0g h PRO 95 CO 0.46 0.00 -0.03 0.09 -0.21 0.00 0.00 178.00 178.30 1x0g n ASN 96 N -3.66 0.04 -4.72 -2.05 5.03 -1.26 -4.89 115.26 103.74 1x0g n ASN 96 Ca 0.04 0.36 -0.40 0.00 0.87 0.00 0.00 54.58 55.44 1x0g n ASN 96 Cb 0.46 -0.42 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 1x0g n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x0g s ALA 97 N -2.94 3.29 -0.11 5.41 0.00 0.30 -4.59 121.76 123.12 1x0g s ALA 97 Ca 0.16 0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.64 1x0g s ALA 97 Cb 0.19 -3.10 -0.29 0.00 0.00 0.00 0.00 23.12 19.93 1x0g s ALA 97 CO 0.53 -0.08 0.34 -1.13 0.00 0.00 0.00 175.76 175.42 1x0g n SER 98 N 3.45 0.06 -4.07 0.00 3.41 -0.07 -4.93 113.62 111.47 1x0g n SER 98 Ca 0.01 0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1x0g n SER 98 Cb 0.51 1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 65.85 1x0g n SER 98 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x0g s GLN 99 N -3.06 1.40 -0.01 4.33 -0.21 -1.22 -4.99 119.66 115.90 1x0g s GLN 99 Ca -0.08 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 53.89 1x0g s GLN 99 Cb 0.10 0.39 -0.00 0.00 1.00 0.00 0.00 33.01 34.50 1x0g s GLN 99 CO 0.87 -0.54 0.03 0.99 -2.12 0.00 0.00 175.29 174.52 1x0g s THR 100 N -4.07 0.02 1.02 -0.19 2.01 -1.26 -1.85 115.64 111.32 1x0g s THR 100 Ca 0.29 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1x0g s THR 100 Cb 0.02 -0.10 0.20 0.00 0.01 0.00 0.00 72.50 72.64 1x0g s THR 100 CO 0.10 -0.09 1.08 0.00 -0.69 0.00 0.00 174.62 175.02 1x0g h GLY 102 N -2.02 2.06 -1.06 0.00 0.00 -2.01 -2.84 103.07 97.20 1x0g h GLY 102 Ca -0.55 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1x0g h GLY 102 CO 0.55 -0.51 -0.27 0.00 0.00 0.00 0.00 176.54 176.32 1x0g n GLY 104 N 1.20 2.41 0.23 0.00 0.00 -1.07 -4.87 105.19 103.08 1x0g n GLY 104 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1x0g n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x0g h MET 105 N 2.38 0.00 -6.74 1.61 2.86 -1.93 -3.43 114.93 109.67 1x0g h MET 105 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1x0g h MET 105 Cb 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.42 1x0g h MET 105 CO 0.00 0.22 -0.87 0.00 1.06 0.00 0.00 176.91 177.32 1x0g s ALA 106 N -3.77 2.25 0.04 6.32 0.00 -1.26 -2.56 121.76 122.78 1x0g s ALA 106 Ca -0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 1x0g s ALA 106 Cb 0.11 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1x0g s ALA 106 CO 0.63 0.52 -0.03 -0.59 0.00 0.00 0.00 175.76 176.28 1x0g s PHE 107 N -0.95 0.42 0.19 0.00 -0.12 -0.44 -0.37 117.98 116.70 1x0g s PHE 107 Ca 0.12 -0.77 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 1x0g s PHE 107 Cb -0.10 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1x0g s PHE 107 CO 0.04 -0.26 0.34 -0.98 -0.05 0.00 0.00 175.22 174.31 1x0g s ARG 108 N -2.60 3.46 0.43 1.99 1.70 -0.77 -1.77 118.95 121.38 1x0g s ARG 108 Ca -0.05 -0.56 0.07 0.00 -0.47 0.00 0.00 55.73 54.72 1x0g s ARG 108 Cb -0.02 -2.90 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 1x0g s ARG 108 CO -0.05 0.45 0.26 0.14 -1.08 0.00 0.00 175.30 175.02 1x0g s VAL 109 N -1.86 2.34 0.48 4.99 -7.23 -1.26 -0.90 120.40 116.96 1x0g s VAL 109 Ca 0.36 -1.57 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 1x0g s VAL 109 Cb -0.10 -2.91 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 1x0g s VAL 109 CO 0.29 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 175.29 1x0g s SER 110 N -4.01 6.11 0.00 4.85 1.04 -1.26 -4.82 113.70 115.61 1x0g s SER 110 Ca 0.42 2.24 0.07 0.00 0.48 0.00 0.00 55.95 59.17 1x0g s SER 110 Cb 0.01 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.97 1x0g s SER 110 CO 0.24 -0.95 0.89 0.54 0.98 0.00 0.00 173.24 174.94