#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i57 s GLN 2 N 0.00 3.42 -0.01 0.03 -1.52 0.46 -4.93 119.66 117.11 3i57 s GLN 2 Ca 0.00 -0.67 0.05 0.00 -1.95 0.00 0.00 55.36 52.79 3i57 s GLN 2 Cb 0.00 -2.92 -0.01 0.00 -0.22 0.00 0.00 33.01 29.85 3i57 s GLN 2 CO 0.00 0.49 -0.16 0.15 -0.25 0.00 0.00 175.29 175.52 3i57 s LYS 3 N -3.49 1.32 0.04 2.91 1.02 -1.26 -1.56 119.74 118.72 3i57 s LYS 3 Ca 0.34 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.82 3i57 s LYS 3 Cb -0.10 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 3i57 s LYS 3 CO 0.28 0.33 -0.16 0.08 -0.92 0.00 0.00 175.35 174.97 3i57 s VAL 4 N -0.34 1.26 -0.08 3.17 1.01 0.28 -2.24 120.40 123.46 3i57 s VAL 4 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3i57 s VAL 4 Cb -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3i57 s VAL 4 CO -0.00 0.08 -0.06 -1.00 0.00 0.00 0.00 175.10 174.12 3i57 s HIS 5 N -0.80 1.13 -0.19 5.22 0.09 -0.03 -0.49 115.29 120.23 3i57 s HIS 5 Ca 0.03 -0.45 -0.02 0.00 -0.00 0.00 0.00 55.06 54.62 3i57 s HIS 5 Cb -0.08 -0.97 -0.00 0.00 -0.00 0.00 0.00 32.58 31.53 3i57 s HIS 5 CO 0.01 -0.35 -0.10 0.08 -0.00 0.00 0.00 174.74 174.38 3i57 s VAL 6 N 1.36 2.98 -0.17 -0.90 1.01 -0.00 -1.26 120.40 123.41 3i57 s VAL 6 Ca -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3i57 s VAL 6 Cb -0.14 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3i57 s VAL 6 CO -0.03 0.47 -0.07 -1.10 0.00 0.00 0.00 175.10 174.37 3i57 s GLN 7 N 1.19 3.46 -0.25 2.72 -0.21 0.23 -0.72 119.66 126.09 3i57 s GLN 7 Ca 0.02 -0.62 -0.10 0.00 0.02 0.00 0.00 55.36 54.68 3i57 s GLN 7 Cb -0.14 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 3i57 s GLN 7 CO -0.04 0.05 0.15 0.71 -2.12 0.00 0.00 175.29 174.05 3i57 s TYR 8 N 0.81 3.26 -0.04 0.91 2.02 0.96 -0.22 117.35 125.05 3i57 s TYR 8 Ca -0.02 0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3i57 s TYR 8 Cb -0.15 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 3i57 s TYR 8 CO 0.01 -0.04 -0.12 0.42 -1.57 0.00 0.00 175.55 174.25 3i57 s ILE 9 N 1.27 1.08 -0.56 2.71 1.01 0.24 0.32 121.20 127.28 3i57 s ILE 9 Ca 0.07 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.94 3i57 s ILE 9 Cb -0.14 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3i57 s ILE 9 CO 0.06 0.33 1.11 -0.62 0.00 0.00 0.00 174.94 175.82 3i57 s ASP 10 N 0.25 6.44 0.35 3.58 -1.08 -0.43 -0.95 116.67 124.84 3i57 s ASP 10 Ca -0.06 0.04 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 3i57 s ASP 10 Cb -0.11 -2.52 1.03 0.00 -1.46 0.00 0.00 42.92 39.86 3i57 s ASP 10 CO 0.02 -1.37 1.80 1.23 0.52 0.00 0.00 175.17 177.36 3i57 h GLY 11 N 11.55 0.00 0.99 2.66 0.00 -1.28 0.90 103.07 117.88 3i57 h GLY 11 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 3i57 h GLY 11 CO 1.15 0.00 -1.09 0.83 0.00 0.00 0.00 176.54 177.43 3i57 h GLU 12 N 0.00 0.47 -0.01 4.80 5.08 -1.91 -3.36 114.58 119.63 3i57 h GLU 12 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 3i57 h GLU 12 Cb 0.50 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3i57 h GLU 12 CO 0.00 1.32 -0.34 0.25 -1.00 0.00 0.00 179.01 179.24 3i57 n THR 13 N -3.94 0.00 -3.64 1.13 -2.24 -1.16 -4.98 114.28 99.45 3i57 n THR 13 Ca -0.14 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 3i57 n THR 13 Cb 0.93 1.24 0.04 0.00 -2.10 0.00 0.00 70.33 70.44 3i57 n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i57 n ASP 14 N 0.07 -2.43 -4.30 3.42 8.00 0.28 -5.00 116.55 116.59 3i57 n ASP 14 Ca 0.08 -0.84 -0.32 0.00 0.71 0.00 0.00 54.79 54.43 3i57 n ASP 14 Cb 0.41 -4.10 -0.16 0.00 -0.02 0.00 0.00 41.12 37.25 3i57 n ASP 14 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3i57 s GLN 15 N -5.79 2.55 -0.25 -1.24 2.00 -1.04 -4.99 119.66 110.91 3i57 s GLN 15 Ca 0.13 -0.87 -0.29 0.00 -2.00 0.00 0.00 55.36 52.32 3i57 s GLN 15 Cb -0.03 -2.20 0.00 0.00 0.80 0.00 0.00 33.01 31.58 3i57 s GLN 15 CO 0.81 0.42 1.18 1.41 -0.50 0.00 0.00 175.29 178.61 3i57 s MET 16 N -0.25 4.12 -0.01 1.67 -2.45 -1.26 -1.31 119.30 119.81 3i57 s MET 16 Ca -0.01 1.35 -0.15 0.00 -1.25 0.00 0.00 55.69 55.64 3i57 s MET 16 Cb -0.13 -3.76 -0.34 0.00 1.25 0.00 0.00 34.83 31.85 3i57 s MET 16 CO 0.03 -0.84 0.87 -0.07 1.05 0.00 0.00 175.02 176.06 3i57 h LEU 17 N 10.03 0.73 -7.00 4.11 3.38 -0.48 -3.48 115.31 122.60 3i57 h LEU 17 Ca -0.23 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 56.77 3i57 h LEU 17 Cb 1.08 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 41.39 3i57 h LEU 17 CO 1.00 1.71 0.18 -0.60 0.09 0.00 0.00 178.44 180.82 3i57 s ARG 18 N -2.57 0.90 -0.12 1.13 3.52 -1.06 -4.99 118.95 115.75 3i57 s ARG 18 Ca -0.12 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 3i57 s ARG 18 Cb 0.04 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 3i57 s ARG 18 CO 0.90 -0.18 -0.15 -1.14 -0.81 0.00 0.00 175.30 173.92 3i57 s GLN 19 N -0.22 2.28 -0.24 5.12 0.74 -1.26 -0.03 119.66 126.06 3i57 s GLN 19 Ca -0.04 -0.57 -0.12 0.00 0.05 0.00 0.00 55.36 54.68 3i57 s GLN 19 Cb -0.03 -1.99 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 3i57 s GLN 19 CO 0.04 -0.12 0.22 -0.51 -0.55 0.00 0.00 175.29 174.37 3i57 s ASP 20 N 1.15 6.18 -0.16 6.67 1.01 0.11 -4.93 116.67 126.70 3i57 s ASP 20 Ca -0.03 0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.37 3i57 s ASP 20 Cb -0.14 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3i57 s ASP 20 CO -0.05 0.01 0.05 -1.81 0.21 0.00 0.00 175.17 173.59 3i57 s ASP 21 N 1.14 5.56 -0.01 0.27 1.01 -1.26 -0.82 116.67 122.55 3i57 s ASP 21 Ca 0.10 0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.52 3i57 s ASP 21 Cb -0.14 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 3i57 s ASP 21 CO 0.06 0.23 -0.18 -0.76 0.21 0.00 0.00 175.17 174.73 3i57 s LEU 22 N 0.05 2.04 -0.00 1.23 1.43 0.36 -4.98 118.68 118.81 3i57 s LEU 22 Ca 0.05 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3i57 s LEU 22 Cb -0.12 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 3i57 s LEU 22 CO 0.01 0.21 -0.07 -1.81 0.23 0.00 0.00 176.35 174.92 3i57 s ASP 23 N -0.45 4.59 0.21 2.29 1.01 -1.26 -0.55 116.67 122.50 3i57 s ASP 23 Ca 0.07 -0.14 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 3i57 s ASP 23 Cb -0.07 -1.07 0.06 0.00 1.01 0.00 0.00 42.92 42.85 3i57 s ASP 23 CO -0.01 0.29 0.92 -0.83 0.21 0.00 0.00 175.17 175.76 3i57 s GLY 24 N -1.33 -0.05 0.33 0.21 0.00 -0.60 -4.96 107.32 100.91 3i57 s GLY 24 Ca 0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.59 3i57 s GLY 24 CO 0.07 0.50 0.72 -0.19 0.00 0.00 0.00 173.10 174.20 3i57 s TYR 25 N -2.99 3.39 -0.00 1.90 2.02 -1.26 -0.40 117.35 120.01 3i57 s TYR 25 Ca 0.15 1.16 -0.37 0.00 -0.37 0.00 0.00 57.07 57.64 3i57 s TYR 25 Cb -0.03 -2.50 -0.16 0.00 -0.40 0.00 0.00 41.96 38.88 3i57 s TYR 25 CO 0.05 0.08 1.53 2.41 -1.57 0.00 0.00 175.55 178.04 3i57 n THR 26 N -0.48 0.13 -0.64 -0.71 -1.04 -1.26 -1.58 114.28 108.69 3i57 n THR 26 Ca 0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i57 n THR 26 Cb 0.53 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3i57 n THR 26 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i57 n ASP 27 N 3.73 0.00 -4.75 8.00 8.00 -0.28 -4.99 116.55 126.26 3i57 n ASP 27 Ca 0.20 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 3i57 n ASP 27 Cb 0.20 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3i57 n ASP 27 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i57 s GLU 28 N -0.12 4.61 0.02 -1.24 2.12 -0.62 -4.80 118.70 118.68 3i57 s GLU 28 Ca 0.00 1.78 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 3i57 s GLU 28 Cb 0.00 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 3i57 s GLU 28 CO 0.00 0.14 1.35 0.99 -0.54 0.00 0.00 175.26 177.20 3i57 s THR 29 N -0.76 3.73 -0.16 -1.70 2.01 -1.26 -1.40 115.64 116.09 3i57 s THR 29 Ca 0.47 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 63.34 3i57 s THR 29 Cb -0.31 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3i57 s THR 29 CO 0.39 0.03 1.95 -0.63 -0.69 0.00 0.00 174.62 175.66 3i57 s ILE 30 N 1.98 3.25 -1.28 1.82 1.01 -0.41 -4.86 121.20 122.71 3i57 s ILE 30 Ca 0.62 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.39 3i57 s ILE 30 Cb -0.31 -3.27 0.10 0.00 0.01 0.00 0.00 42.46 38.99 3i57 s ILE 30 CO 0.27 -0.12 1.66 -0.81 0.00 0.00 0.00 174.94 175.94 3i57 n PRO 31 N 8.11 3.25 -3.54 2.79 -0.04 -1.26 -4.86 135.00 139.45 3i57 n PRO 31 Ca 0.24 -3.44 -0.17 0.00 -0.04 0.00 0.00 63.50 60.08 3i57 n PRO 31 Cb 0.44 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 3i57 n PRO 31 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3i57 s TYR 32 N 3.29 -0.65 0.01 0.54 5.04 -1.26 -5.16 117.35 119.15 3i57 s TYR 32 Ca 0.50 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 3i57 s TYR 32 Cb 0.02 0.40 -0.01 0.00 0.35 0.00 0.00 41.96 42.72 3i57 s TYR 32 CO 0.05 -0.56 -0.05 0.45 -1.34 0.00 0.00 175.55 174.10 3i57 s SER 33 N -1.00 0.51 0.00 4.32 0.15 -1.26 -4.99 113.70 111.43 3i57 s SER 33 Ca -0.09 -0.21 0.28 0.00 0.70 0.00 0.00 55.95 56.63 3i57 s SER 33 Cb -0.01 -0.02 1.49 0.00 -1.71 0.00 0.00 66.02 65.78 3i57 s SER 33 CO 0.08 -0.04 1.97 0.35 1.20 0.00 0.00 173.24 176.81 3i57 n THR 34 N 2.53 0.08 -0.10 6.45 -2.24 -1.26 -4.35 114.28 115.39 3i57 n THR 34 Ca -0.16 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 3i57 n THR 34 Cb 0.57 -0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3i57 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i57 h ALA 35 N 3.46 0.40 -0.51 6.98 0.00 -1.99 -0.18 119.26 127.42 3i57 h ALA 35 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3i57 h ALA 35 Cb 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i57 h ALA 35 CO 0.00 -0.26 -0.07 0.93 0.00 0.00 0.00 179.25 179.85 3i57 h GLU 36 N 0.29 0.94 -0.62 0.00 3.07 -2.00 -1.01 114.58 115.25 3i57 h GLU 36 Ca 0.15 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.58 3i57 h GLU 36 Cb 0.11 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3i57 h GLU 36 CO -0.14 1.00 0.03 0.78 -1.40 0.00 0.00 179.01 179.28 3i57 h GLY 37 N 0.80 1.15 0.98 -3.84 0.00 -1.76 -0.89 103.07 99.51 3i57 h GLY 37 Ca 0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3i57 h GLY 37 CO 0.04 0.75 0.25 -2.22 0.00 0.00 0.00 176.54 175.36 3i57 h ILE 38 N 0.98 1.15 -0.88 2.60 2.04 -0.78 -1.71 117.51 120.91 3i57 h ILE 38 Ca 0.18 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3i57 h ILE 38 Cb 0.52 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3i57 h ILE 38 CO 0.02 0.15 0.50 0.50 0.00 0.00 0.00 178.15 179.33 3i57 h LYS 39 N 0.57 1.21 0.01 2.37 3.64 -0.89 -0.49 116.57 122.99 3i57 h LYS 39 Ca 0.15 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3i57 h LYS 39 Cb 0.03 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3i57 h LYS 39 CO -0.03 0.87 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.80 3i57 h LYS 40 N 1.21 -0.01 -0.08 1.90 3.11 -0.82 -1.17 116.57 120.72 3i57 h LYS 40 Ca 0.31 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 58.01 3i57 h LYS 40 Cb -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 3i57 h LYS 40 CO -0.05 0.11 -0.57 0.74 -2.81 0.00 0.00 179.45 176.87 3i57 h PHE 41 N -0.13 0.33 -0.12 1.91 0.04 -1.22 -2.04 116.94 115.71 3i57 h PHE 41 Ca -0.00 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 3i57 h PHE 41 Cb 0.13 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3i57 h PHE 41 CO -0.04 0.77 -0.10 0.93 -0.60 0.00 0.00 178.31 179.27 3i57 h GLU 42 N 0.20 0.18 0.00 1.51 5.08 -0.99 -0.58 114.58 119.98 3i57 h GLU 42 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i57 h GLU 42 Cb 1.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3i57 h GLU 42 CO 0.09 0.30 -0.01 0.78 -1.00 0.00 0.00 179.01 179.16 3i57 h GLY 43 N 0.62 0.00 -2.48 -3.84 0.00 -0.47 -2.22 103.07 94.68 3i57 h GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i57 h GLY 43 CO 0.02 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.78 3i57 n ASP 44 N -3.13 3.65 0.00 0.19 8.00 -0.30 -4.92 116.55 120.03 3i57 n ASP 44 Ca -0.01 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.41 3i57 n ASP 44 Cb 0.22 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3i57 n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i57 n GLY 45 N 1.43 0.42 3.86 0.44 0.00 -0.84 -4.17 105.19 106.34 3i57 n GLY 45 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3i57 n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i57 s TYR 46 N -2.00 3.33 -0.07 1.61 2.02 -0.75 -0.92 117.35 120.57 3i57 s TYR 46 Ca 0.00 1.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.90 3i57 s TYR 46 Cb 0.00 -2.94 0.02 0.00 -0.40 0.00 0.00 41.96 38.64 3i57 s TYR 46 CO 0.00 -1.11 -0.07 -2.00 -1.57 0.00 0.00 175.55 170.79 3i57 s GLU 47 N -5.23 1.24 0.16 -0.62 2.12 0.16 -4.14 118.70 112.38 3i57 s GLU 47 Ca 0.57 -0.22 -0.33 0.00 0.36 0.00 0.00 54.97 55.35 3i57 s GLU 47 Cb -0.12 -1.18 -0.13 0.00 0.26 0.00 0.00 34.13 32.96 3i57 s GLU 47 CO 0.53 -0.10 1.65 -0.11 -0.54 0.00 0.00 175.26 176.69 3i57 n LEU 48 N 4.23 3.41 -0.07 2.70 7.94 -1.26 -0.94 117.00 133.01 3i57 n LEU 48 Ca -0.20 1.07 -0.12 0.00 -1.11 0.00 0.00 56.01 55.64 3i57 n LEU 48 Cb 0.51 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.92 3i57 n LEU 48 CO 0.22 -0.12 -0.99 0.33 -1.11 0.00 0.00 177.39 175.71 3i57 n PHE 49 N 3.88 0.00 -3.49 1.96 7.35 0.22 -4.82 117.46 122.56 3i57 n PHE 49 Ca 0.17 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.87 3i57 n PHE 49 Cb 0.31 -0.56 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 3i57 n PHE 49 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3i57 s LYS 50 N -2.29 0.44 -0.26 -4.13 2.20 -0.94 -5.00 119.74 109.77 3i57 s LYS 50 Ca -0.20 1.08 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 3i57 s LYS 50 Cb 0.06 0.65 0.03 0.00 -1.51 0.00 0.00 37.83 37.06 3i57 s LYS 50 CO 0.32 -0.19 -0.06 0.34 -0.36 0.00 0.00 175.35 175.41 3i57 s ASP 51 N 2.71 4.42 -0.04 1.43 2.15 -1.26 -0.93 116.67 125.15 3i57 s ASP 51 Ca -0.02 -1.00 0.19 0.00 0.43 0.00 0.00 52.55 52.15 3i57 s ASP 51 Cb -0.10 -1.66 0.61 0.00 -0.30 0.00 0.00 42.92 41.48 3i57 s ASP 51 CO -0.18 -0.16 1.52 -0.46 -0.17 0.00 0.00 175.17 175.72 3i57 n ASN 52 N 4.64 4.02 -4.64 -0.34 0.23 -0.54 -4.90 115.26 113.72 3i57 n ASN 52 Ca -0.16 -2.15 -0.43 0.00 -0.53 0.00 0.00 54.58 51.31 3i57 n ASN 52 Cb 0.46 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 3i57 n ASN 52 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3i57 s PHE 53 N -1.29 3.00 0.20 -2.53 5.36 -1.26 -4.81 117.98 116.66 3i57 s PHE 53 Ca 0.45 1.10 -0.30 0.00 -0.96 0.00 0.00 56.93 57.23 3i57 s PHE 53 Cb 0.26 -3.71 -0.08 0.00 -0.34 0.00 0.00 43.02 39.15 3i57 s PHE 53 CO 0.28 -1.10 0.98 -2.14 -1.46 0.00 0.00 175.22 171.77 3i57 s PRO 54 N 3.75 4.76 0.18 10.12 0.02 -1.26 -4.98 135.00 147.59 3i57 s PRO 54 Ca 0.49 1.54 -0.33 0.00 0.02 0.00 0.00 61.00 62.72 3i57 s PRO 54 Cb -0.15 -3.30 -0.13 0.00 0.02 0.00 0.00 34.50 30.94 3i57 s PRO 54 CO 0.17 0.35 1.57 0.00 -0.33 0.00 0.00 177.00 178.76 3i57 n ALA 55 N 1.95 1.55 -0.68 -1.55 0.00 -1.26 -2.45 120.51 118.07 3i57 n ALA 55 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3i57 n ALA 55 Cb 0.47 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3i57 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i57 n GLY 56 N 3.25 0.82 3.65 0.00 0.00 -1.26 -5.01 105.19 106.64 3i57 n GLY 56 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3i57 n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i57 n GLU 57 N -2.08 1.66 -4.10 1.61 4.07 -1.02 -4.77 120.64 116.00 3i57 n GLU 57 Ca 0.00 0.59 -0.24 0.00 -0.06 0.00 0.00 57.16 57.45 3i57 n GLU 57 Cb 0.00 -2.17 -0.07 0.00 -0.06 0.00 0.00 31.44 29.14 3i57 n GLU 57 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3i57 s LYS 58 N -2.00 2.30 0.12 5.31 1.02 -1.26 -1.28 119.74 123.95 3i57 s LYS 58 Ca 0.61 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.64 3i57 s LYS 58 Cb -0.56 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 3i57 s LYS 58 CO 0.58 0.03 1.20 -0.06 -0.92 0.00 0.00 175.35 176.19 3i57 s PHE 59 N -2.49 3.43 0.00 3.18 0.08 -0.50 -4.83 117.98 116.86 3i57 s PHE 59 Ca 0.39 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.79 3i57 s PHE 59 Cb -0.00 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 3i57 s PHE 59 CO 0.23 -1.27 0.00 -0.40 -0.10 0.00 0.00 175.22 173.67 3i57 n ASP 60 N 3.22 0.00 -0.76 1.36 5.68 -1.26 -1.12 116.55 123.67 3i57 n ASP 60 Ca 0.07 -0.86 0.05 0.00 -0.50 0.00 0.00 54.79 53.55 3i57 n ASP 60 Cb 0.45 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.65 3i57 n ASP 60 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i57 n ASN 61 N -2.58 2.98 -4.05 -1.12 5.15 -1.26 -4.26 115.26 110.12 3i57 n ASN 61 Ca 0.00 -3.31 -0.32 0.00 -0.60 0.00 0.00 54.58 50.35 3i57 n ASN 61 Cb 0.00 -0.54 -0.15 0.00 -0.53 0.00 0.00 39.78 38.56 3i57 n ASN 61 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i57 s ASP 62 N -2.42 4.64 0.01 1.20 2.15 -1.26 -4.94 116.67 116.05 3i57 s ASP 62 Ca 0.40 -1.77 0.20 0.00 0.43 0.00 0.00 52.55 51.81 3i57 s ASP 62 Cb 0.35 -1.60 0.84 0.00 -0.30 0.00 0.00 42.92 42.21 3i57 s ASP 62 CO 0.04 -0.29 1.63 0.47 -0.17 0.00 0.00 175.17 176.85 3i57 n ASP 63 N 4.36 0.02 0.13 -0.34 9.92 -1.26 -3.33 116.55 126.05 3i57 n ASP 63 Ca -0.05 0.50 0.03 0.00 -0.53 0.00 0.00 54.79 54.74 3i57 n ASP 63 Cb 0.42 -0.51 0.02 0.00 -0.64 0.00 0.00 41.12 40.41 3i57 n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i57 h THR 64 N 0.00 0.73 -3.82 -3.53 1.03 -1.99 -3.46 112.91 101.87 3i57 h THR 64 Ca 0.00 -2.07 -0.38 0.00 -0.01 0.00 0.00 66.41 63.95 3i57 h THR 64 Cb 0.34 2.32 -0.20 0.00 -1.07 0.00 0.00 68.15 69.54 3i57 h THR 64 CO 0.00 0.42 -0.76 0.20 -0.01 0.00 0.00 175.52 175.36 3i57 s ASN 65 N -6.33 1.65 0.35 0.00 -0.87 -1.21 -5.16 114.94 103.37 3i57 s ASN 65 Ca 0.03 -0.70 0.07 0.00 -1.57 0.00 0.00 52.86 50.70 3i57 s ASN 65 Cb 0.08 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.25 41.26 3i57 s ASN 65 CO 0.75 -0.14 0.49 -1.81 -2.57 0.00 0.00 177.10 173.82 3i57 s ASP 66 N -2.03 5.89 -0.17 -1.22 1.01 -1.26 -4.81 116.67 114.07 3i57 s ASP 66 Ca 0.01 -0.25 -0.10 0.00 0.71 0.00 0.00 52.55 52.93 3i57 s ASP 66 Cb -0.07 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.71 3i57 s ASP 66 CO 0.02 -0.50 0.16 -1.10 0.21 0.00 0.00 175.17 173.96 3i57 s GLN 67 N -4.21 4.04 -0.03 8.23 -0.21 -0.95 -5.02 119.66 121.51 3i57 s GLN 67 Ca 0.47 -0.14 0.07 0.00 0.02 0.00 0.00 55.36 55.78 3i57 s GLN 67 Cb -0.10 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 3i57 s GLN 67 CO 0.31 0.40 -0.24 -0.06 -2.12 0.00 0.00 175.29 173.58 3i57 s PHE 68 N 0.05 2.40 0.08 0.91 0.08 -1.26 -0.85 117.98 119.39 3i57 s PHE 68 Ca 0.11 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3i57 s PHE 68 Cb -0.12 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3i57 s PHE 68 CO 0.00 -0.01 -0.07 0.71 -0.10 0.00 0.00 175.22 175.75 3i57 s TYR 69 N -0.60 0.84 0.04 0.36 2.02 -0.39 -4.97 117.35 114.66 3i57 s TYR 69 Ca 0.09 -0.74 0.05 0.00 -0.37 0.00 0.00 57.07 56.11 3i57 s TYR 69 Cb -0.10 -0.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 3i57 s TYR 69 CO -0.00 -0.11 -0.15 0.95 -1.57 0.00 0.00 175.55 174.67 3i57 s THR 70 N -2.68 1.19 -0.27 -0.71 -4.23 -1.26 -0.60 115.64 107.07 3i57 s THR 70 Ca 0.03 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3i57 s THR 70 Cb -0.01 -1.08 0.08 0.00 1.34 0.00 0.00 72.50 72.83 3i57 s THR 70 CO -0.02 -0.00 0.00 -0.69 -0.54 0.00 0.00 174.62 173.37 3i57 s VAL 71 N -0.90 1.54 -0.16 2.29 1.01 0.69 -1.47 120.40 123.40 3i57 s VAL 71 Ca 0.02 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 3i57 s VAL 71 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3i57 s VAL 71 CO 0.01 -0.34 0.08 -0.63 0.00 0.00 0.00 175.10 174.22 3i57 s ILE 72 N 1.34 4.95 0.23 2.22 -1.09 -0.11 -0.59 121.20 128.14 3i57 s ILE 72 Ca 0.01 0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.55 3i57 s ILE 72 Cb -0.19 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 3i57 s ILE 72 CO -0.11 0.51 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.56 3i57 s PHE 73 N -0.09 2.08 0.49 3.97 0.08 -0.12 -0.61 117.98 123.78 3i57 s PHE 73 Ca 0.08 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.76 3i57 s PHE 73 Cb -0.12 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.36 3i57 s PHE 73 CO 0.01 0.53 0.20 0.15 -0.10 0.00 0.00 175.22 176.01 3i57 s LYS 74 N -3.27 2.22 -0.12 0.44 1.02 -0.12 -0.81 119.74 119.11 3i57 s LYS 74 Ca 0.24 -2.10 -0.19 0.00 0.02 0.00 0.00 55.97 53.94 3i57 s LYS 74 Cb -0.05 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3i57 s LYS 74 CO 0.11 -0.38 0.50 -1.01 -0.92 0.00 0.00 175.35 173.65 3i57 s HIS 75 N -2.76 3.51 0.31 3.18 3.76 -1.26 -0.67 115.29 121.36 3i57 s HIS 75 Ca 0.26 0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 55.80 3i57 s HIS 75 Cb 0.01 -2.58 -0.10 0.00 1.11 0.00 0.00 32.58 31.02 3i57 s HIS 75 CO 0.15 0.15 1.22 -1.58 -0.85 0.00 0.00 174.74 173.83 3i57 s HIS 76 N 0.69 3.28 0.23 1.40 2.46 -0.10 -4.82 115.29 118.44 3i57 s HIS 76 Ca 0.27 1.53 0.07 0.00 0.47 0.00 0.00 55.06 57.40 3i57 s HIS 76 Cb -0.15 -3.51 -0.05 0.00 -0.13 0.00 0.00 32.58 28.74 3i57 s HIS 76 CO 0.11 -1.30 -0.09 1.03 -2.47 0.00 0.00 174.74 172.02 3i57 s ARG 77 N -1.62 1.40 0.06 2.88 0.52 -1.26 -1.01 118.95 119.91 3i57 s ARG 77 Ca 0.47 -1.66 -0.18 0.00 -0.52 0.00 0.00 55.73 53.83 3i57 s ARG 77 Cb -0.36 -1.04 0.04 0.00 0.52 0.00 0.00 34.95 34.10 3i57 s ARG 77 CO 0.48 0.09 0.43 -1.83 0.02 0.00 0.00 175.30 174.48 3i57 s GLU 78 N -3.71 0.96 0.27 3.54 -1.05 -0.18 -4.96 118.70 113.57 3i57 s GLU 78 Ca 0.25 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.39 3i57 s GLU 78 Cb 0.02 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 3i57 s GLU 78 CO 0.09 -0.34 1.00 -0.80 0.95 0.00 0.00 175.26 176.15 3i57 s ASN 79 N -2.10 7.45 0.12 0.83 0.01 -1.26 0.09 114.94 120.08 3i57 s ASN 79 Ca -0.04 2.04 0.04 0.00 -0.71 0.00 0.00 52.86 54.19 3i57 s ASN 79 Cb -0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3i57 s ASN 79 CO -0.04 0.01 -0.11 0.68 -1.51 0.00 0.00 177.10 176.13 3i57 s VAL 80 N -1.25 1.09 0.68 1.60 -7.23 -0.41 -4.86 120.40 110.03 3i57 s VAL 80 Ca 0.44 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3i57 s VAL 80 Cb -0.27 -1.59 0.10 0.00 0.56 0.00 0.00 36.38 35.19 3i57 s VAL 80 CO 0.34 -0.61 0.95 1.51 -0.31 0.00 0.00 175.10 176.97 3i57 s ASP 81 N -2.74 4.58 0.09 4.85 1.47 -1.26 -2.00 116.67 121.66 3i57 s ASP 81 Ca 0.11 -0.24 0.12 0.00 1.18 0.00 0.00 52.55 53.72 3i57 s ASP 81 Cb -0.01 -0.27 0.54 0.00 -0.34 0.00 0.00 42.92 42.84 3i57 s ASP 81 CO 0.01 -1.69 1.37 -2.65 0.68 0.00 0.00 175.17 172.89 3i57 n PRO 82 N -2.73 0.05 0.00 2.11 -0.02 -1.24 -2.04 135.00 131.13 3i57 n PRO 82 Ca 0.13 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3i57 n PRO 82 Cb 0.60 -1.63 0.36 0.00 -0.02 0.00 0.00 33.50 32.81 3i57 n PRO 82 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i57 n ASN 83 N -1.73 1.07 -4.77 2.55 5.03 -1.26 -3.38 115.26 112.77 3i57 n ASN 83 Ca 0.01 -0.92 -0.39 0.00 0.87 0.00 0.00 54.58 54.15 3i57 n ASN 83 Cb 0.10 0.15 -0.02 0.00 -1.02 0.00 0.00 39.78 38.99 3i57 n ASN 83 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3i57 s HIS 84 N -2.50 3.07 0.69 3.10 2.46 -0.87 -4.98 115.29 116.27 3i57 s HIS 84 Ca 0.24 1.52 -0.11 0.00 0.47 0.00 0.00 55.06 57.18 3i57 s HIS 84 Cb 0.19 -3.48 0.01 0.00 -0.13 0.00 0.00 32.58 29.18 3i57 s HIS 84 CO 0.52 -1.46 1.07 -1.54 -2.47 0.00 0.00 174.74 170.86 3i57 s SER 85 N -0.93 5.48 -0.01 9.88 1.04 -1.26 -4.46 113.70 123.44 3i57 s SER 85 Ca 0.54 1.08 0.03 0.00 0.48 0.00 0.00 55.95 58.08 3i57 s SER 85 Cb -0.34 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 63.87 3i57 s SER 85 CO 0.43 -1.29 -0.10 -0.55 0.98 0.00 0.00 173.24 172.71 3i57 s SER 86 N -4.35 1.18 0.53 7.02 0.15 -1.25 -4.73 113.70 112.25 3i57 s SER 86 Ca 0.57 -0.18 0.20 0.00 0.70 0.00 0.00 55.95 57.24 3i57 s SER 86 Cb -0.11 -0.16 1.38 0.00 -1.71 0.00 0.00 66.02 65.42 3i57 s SER 86 CO 0.51 0.11 2.14 0.00 1.20 0.00 0.00 173.24 177.20 3i57 h ALA 87 N 5.97 2.01 -0.04 5.45 0.00 -1.27 -1.64 119.26 129.74 3i57 h ALA 87 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i57 h ALA 87 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i57 h ALA 87 CO 0.49 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.22 3i57 n ASP 88 N -4.38 0.64 0.00 0.00 5.75 -1.26 -4.91 116.55 112.39 3i57 n ASP 88 Ca -0.01 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 3i57 n ASP 88 Cb 0.19 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3i57 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i57 n GLY 89 N 0.99 1.44 3.74 6.12 0.00 -0.62 -5.05 105.19 111.81 3i57 n GLY 89 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i57 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 90 N -2.71 2.77 0.13 2.61 -4.23 -1.26 -4.92 115.64 108.04 3i57 s THR 90 Ca 0.00 0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 3i57 s THR 90 Cb 0.00 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3i57 s THR 90 CO 0.00 -0.28 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.11 3i57 s LYS 91 N -4.44 1.08 0.00 3.99 1.02 -1.26 -3.88 119.74 116.25 3i57 s LYS 91 Ca 0.67 -1.27 0.28 0.00 0.02 0.00 0.00 55.97 55.67 3i57 s LYS 91 Cb -0.22 -1.00 1.58 0.00 -0.52 0.00 0.00 37.83 37.67 3i57 s LYS 91 CO 0.51 0.20 2.03 0.41 -0.92 0.00 0.00 175.35 177.57 3i57 n GLY 92 N 0.50 -0.82 3.20 -3.33 0.00 -1.22 -4.88 105.19 98.63 3i57 n GLY 92 Ca -0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3i57 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 93 N -1.99 0.81 -0.06 2.61 -4.23 -1.26 -0.28 115.64 111.24 3i57 s THR 93 Ca 0.42 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3i57 s THR 93 Cb 0.20 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 72.27 3i57 s THR 93 CO 0.33 -0.78 0.15 -0.75 -0.54 0.00 0.00 174.62 173.02 3i57 s LYS 94 N -3.82 0.14 -0.10 3.99 2.20 -0.64 -4.98 119.74 116.52 3i57 s LYS 94 Ca 0.15 0.29 0.04 0.00 -0.36 0.00 0.00 55.97 56.09 3i57 s LYS 94 Cb 0.05 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3i57 s LYS 94 CO -0.02 -0.09 -0.23 0.99 -0.36 0.00 0.00 175.35 175.64 3i57 s THR 95 N 0.60 2.00 0.05 3.43 2.01 -1.26 -0.99 115.64 121.48 3i57 s THR 95 Ca -0.04 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.03 3i57 s THR 95 Cb -0.06 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3i57 s THR 95 CO -0.03 0.55 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.58 3i57 s LEU 96 N 0.43 2.98 -0.10 4.42 1.43 -0.20 -4.96 118.68 122.69 3i57 s LEU 96 Ca -0.17 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3i57 s LEU 96 Cb -0.17 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3i57 s LEU 96 CO 0.07 0.24 -0.19 -0.89 0.23 0.00 0.00 176.35 175.81 3i57 s THR 97 N -1.06 2.53 -0.06 5.49 2.01 -1.26 -1.51 115.64 121.78 3i57 s THR 97 Ca 0.18 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 3i57 s THR 97 Cb -0.11 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3i57 s THR 97 CO 0.09 0.55 0.47 -0.70 -0.69 0.00 0.00 174.62 174.34 3i57 s GLU 98 N 0.17 4.21 -0.07 4.92 2.12 0.84 -3.16 118.70 127.74 3i57 s GLU 98 Ca -0.11 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.73 3i57 s GLU 98 Cb -0.16 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3i57 s GLU 98 CO 0.06 0.36 -0.20 0.99 -0.54 0.00 0.00 175.26 175.93 3i57 s THR 99 N -0.04 1.71 -0.20 -1.70 2.01 -0.41 -1.63 115.64 115.38 3i57 s THR 99 Ca 0.26 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.44 3i57 s THR 99 Cb -0.16 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.90 3i57 s THR 99 CO 0.12 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 3i57 s VAL 100 N 0.29 2.05 0.25 3.82 1.01 -0.13 -1.12 120.40 126.58 3i57 s VAL 100 Ca -0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 3i57 s VAL 100 Cb -0.16 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 3i57 s VAL 100 CO 0.06 0.41 0.61 -1.00 0.00 0.00 0.00 175.10 175.18 3i57 s HIS 101 N 1.26 3.42 -0.17 5.22 3.76 0.27 -2.03 115.29 127.02 3i57 s HIS 101 Ca 0.02 0.99 0.01 0.00 -0.15 0.00 0.00 55.06 55.94 3i57 s HIS 101 Cb -0.14 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.21 3i57 s HIS 101 CO -0.11 0.23 -0.20 0.71 -0.85 0.00 0.00 174.74 174.52 3i57 s TYR 102 N -1.84 2.75 0.05 1.40 2.02 -1.26 -0.71 117.35 119.76 3i57 s TYR 102 Ca 0.49 -1.48 -0.04 0.00 -0.37 0.00 0.00 57.07 55.66 3i57 s TYR 102 Cb -0.11 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3i57 s TYR 102 CO 0.20 -0.71 0.07 0.15 -1.57 0.00 0.00 175.55 173.69 3i57 s LYS 103 N 1.10 0.65 0.74 -0.62 1.02 -0.53 -0.84 119.74 121.25 3i57 s LYS 103 Ca 0.00 -0.97 -0.08 0.00 0.02 0.00 0.00 55.97 54.93 3i57 s LYS 103 Cb -0.14 0.25 0.07 0.00 -0.52 0.00 0.00 37.83 37.48 3i57 s LYS 103 CO -0.08 -0.16 1.07 0.71 -0.92 0.00 0.00 175.35 175.97 3i57 s TYR 104 N -3.37 2.93 0.42 3.18 2.02 -0.15 0.25 117.35 122.63 3i57 s TYR 104 Ca 0.02 0.55 0.33 0.00 -0.37 0.00 0.00 57.07 57.60 3i57 s TYR 104 Cb 0.03 -3.29 1.70 0.00 -0.40 0.00 0.00 41.96 40.00 3i57 s TYR 104 CO -0.08 -1.53 2.14 0.00 -1.57 0.00 0.00 175.55 174.51 3i57 h ALA 105 N -0.75 1.15 -0.22 3.71 0.00 -1.88 0.21 119.26 121.48 3i57 h ALA 105 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i57 h ALA 105 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i57 h ALA 105 CO 0.62 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.22 3i57 n ASN 106 N -3.38 1.43 0.00 0.00 6.94 -1.26 -4.89 115.26 114.10 3i57 n ASN 106 Ca -0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 3i57 n ASN 106 Cb 0.20 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3i57 n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i57 n GLY 107 N 1.00 0.94 3.82 4.83 0.00 0.06 -5.04 105.19 110.79 3i57 n GLY 107 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3i57 n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 108 N -3.15 4.04 0.09 2.61 -4.23 -1.26 -4.84 115.64 108.90 3i57 s THR 108 Ca 0.00 0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 61.11 3i57 s THR 108 Cb 0.00 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 3i57 s THR 108 CO 0.00 -0.64 1.02 -0.75 -0.54 0.00 0.00 174.62 173.71 3i57 s LYS 109 N -4.29 4.62 -0.11 3.99 2.20 -1.26 -0.98 119.74 123.90 3i57 s LYS 109 Ca 0.61 1.52 0.19 0.00 -0.36 0.00 0.00 55.97 57.94 3i57 s LYS 109 Cb -0.14 -3.38 -0.28 0.00 -1.51 0.00 0.00 37.83 32.52 3i57 s LYS 109 CO 0.40 0.07 0.27 0.00 -0.36 0.00 0.00 175.35 175.72 3i57 n ALA 110 N 3.14 2.17 -3.62 3.13 0.00 -0.02 -4.74 120.51 120.56 3i57 n ALA 110 Ca 0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 3i57 n ALA 110 Cb 0.49 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 3i57 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i57 s ALA 111 N -2.97 -1.65 0.48 0.00 0.00 -1.18 -4.95 121.76 111.49 3i57 s ALA 111 Ca -0.09 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 3i57 s ALA 111 Cb 0.10 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.78 3i57 s ALA 111 CO 0.83 -0.87 1.37 0.39 0.00 0.00 0.00 175.76 177.48 3i57 n GLU 112 N -0.37 2.00 -1.50 0.00 -0.58 -1.26 -4.19 120.64 114.73 3i57 n GLU 112 Ca -0.09 0.72 -0.36 0.00 -0.42 0.00 0.00 57.16 57.01 3i57 n GLU 112 Cb 0.62 -2.56 0.08 0.00 -0.57 0.00 0.00 31.44 29.00 3i57 n GLU 112 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i57 n ASP 113 N -0.36 0.90 -4.51 1.62 8.00 -1.26 -4.68 116.55 116.25 3i57 n ASP 113 Ca 0.07 0.73 -0.29 0.00 0.71 0.00 0.00 54.79 56.01 3i57 n ASP 113 Cb 0.42 -1.44 -0.11 0.00 -0.02 0.00 0.00 41.12 39.98 3i57 n ASP 113 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i57 s GLN 114 N -3.21 1.86 0.14 -1.24 -0.21 -0.86 -4.98 119.66 111.15 3i57 s GLN 114 Ca 0.76 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 55.01 3i57 s GLN 114 Cb -0.37 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 3i57 s GLN 114 CO 0.47 0.49 -0.02 0.95 -2.12 0.00 0.00 175.29 175.06 3i57 s THR 115 N -1.16 0.60 0.12 -0.19 -4.23 -1.26 -0.95 115.64 108.57 3i57 s THR 115 Ca 0.19 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 3i57 s THR 115 Cb -0.11 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3i57 s THR 115 CO 0.11 -0.63 0.38 0.00 -0.54 0.00 0.00 174.62 173.93 3i57 s ALA 116 N -3.70 -0.84 0.16 3.99 0.00 -0.64 -4.98 121.76 115.75 3i57 s ALA 116 Ca 0.19 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3i57 s ALA 116 Cb 0.06 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3i57 s ALA 116 CO 0.00 -0.63 -0.14 -0.65 0.00 0.00 0.00 175.76 174.34 3i57 s GLN 117 N -3.81 1.16 0.11 0.00 -0.21 -1.26 -0.11 119.66 115.54 3i57 s GLN 117 Ca 0.03 -1.41 0.02 0.00 0.02 0.00 0.00 55.36 54.03 3i57 s GLN 117 Cb 0.02 -0.99 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 3i57 s GLN 117 CO -0.12 0.18 -0.07 0.14 -2.12 0.00 0.00 175.29 173.30 3i57 s VAL 118 N -2.57 0.78 -0.04 1.09 -7.23 -0.57 -4.68 120.40 107.19 3i57 s VAL 118 Ca 0.15 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3i57 s VAL 118 Cb -0.03 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.18 3i57 s VAL 118 CO 0.04 -0.81 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.08 3i57 s THR 119 N -3.57 0.56 0.10 5.32 2.01 -1.26 -1.03 115.64 117.77 3i57 s THR 119 Ca 0.14 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.02 3i57 s THR 119 Cb 0.05 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 3i57 s THR 119 CO -0.03 0.22 0.10 -0.36 -0.69 0.00 0.00 174.62 173.86 3i57 s PHE 120 N 0.77 3.20 0.12 4.92 0.08 -0.16 -4.97 117.98 121.94 3i57 s PHE 120 Ca -0.10 0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.06 3i57 s PHE 120 Cb -0.13 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3i57 s PHE 120 CO 0.00 0.52 -0.12 0.95 -0.10 0.00 0.00 175.22 176.47 3i57 s THR 121 N -1.49 1.19 -0.05 0.64 -4.23 -1.26 -1.62 115.64 108.82 3i57 s THR 121 Ca 0.30 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 3i57 s THR 121 Cb -0.12 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3i57 s THR 121 CO 0.23 -0.49 0.23 0.00 -0.54 0.00 0.00 174.62 174.05 3i57 s ARG 122 N -2.78 0.41 0.71 3.99 1.70 0.61 -0.56 118.95 123.04 3i57 s ARG 122 Ca 0.08 0.06 -0.05 0.00 -0.47 0.00 0.00 55.73 55.35 3i57 s ARG 122 Cb -0.04 0.19 0.09 0.00 -0.57 0.00 0.00 34.95 34.62 3i57 s ARG 122 CO 0.02 -0.08 1.01 -0.80 -1.08 0.00 0.00 175.30 174.36 3i57 s ASN 123 N -0.52 4.57 0.36 -2.89 -0.87 -1.26 -3.63 114.94 110.69 3i57 s ASN 123 Ca -0.06 0.16 -0.09 0.00 -1.57 0.00 0.00 52.86 51.30 3i57 s ASN 123 Cb -0.04 -0.71 0.03 0.00 -0.02 0.00 0.00 41.25 40.51 3i57 s ASN 123 CO 0.01 -1.73 0.62 -0.83 -2.57 0.00 0.00 177.10 172.61 3i57 s GLY 124 N -4.60 0.94 -0.19 0.66 0.00 -0.85 -0.35 107.32 102.93 3i57 s GLY 124 Ca 0.63 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3i57 s GLY 124 CO 0.45 -0.66 -0.14 0.14 0.00 0.00 0.00 173.10 172.88 3i57 s VAL 125 N -2.77 1.80 -0.01 1.40 1.01 -0.43 -1.29 120.40 120.12 3i57 s VAL 125 Ca 0.23 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 3i57 s VAL 125 Cb -0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3i57 s VAL 125 CO 0.16 0.34 0.84 -0.22 0.00 0.00 0.00 175.10 176.21 3i57 s LEU 126 N 1.36 4.38 -0.39 3.92 2.96 0.11 -0.94 118.68 130.08 3i57 s LEU 126 Ca 0.02 1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 55.21 3i57 s LEU 126 Cb -0.15 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.22 3i57 s LEU 126 CO -0.10 -0.14 0.48 -0.62 -1.32 0.00 0.00 176.35 174.65 3i57 s ASP 127 N 0.65 6.24 0.36 3.68 -1.08 -0.61 -1.01 116.67 124.90 3i57 s ASP 127 Ca 0.44 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.36 3i57 s ASP 127 Cb -0.20 -2.25 1.12 0.00 -1.46 0.00 0.00 42.92 40.13 3i57 s ASP 127 CO 0.24 -0.55 1.80 0.44 0.52 0.00 0.00 175.17 177.63 3i57 h ASP 128 N 8.64 0.00 0.05 -0.34 3.32 -1.34 0.25 116.42 127.00 3i57 h ASP 128 Ca -0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 3i57 h ASP 128 Cb 1.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.68 3i57 h ASP 128 CO 0.79 0.00 -0.43 0.58 -1.72 0.00 0.00 179.24 178.46 3i57 h VAL 129 N 0.00 1.59 0.00 -1.35 2.07 -1.73 -3.38 116.25 113.45 3i57 h VAL 129 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3i57 h VAL 129 Cb 0.41 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 3i57 h VAL 129 CO 0.00 0.63 -1.18 0.35 0.02 0.00 0.00 177.57 177.39 3i57 n THR 130 N -4.36 0.43 -0.95 2.57 -2.24 -1.09 -4.95 114.28 103.69 3i57 n THR 130 Ca -0.11 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i57 n THR 130 Cb 0.63 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3i57 n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i57 n GLY 131 N 1.23 0.28 3.75 3.38 0.00 0.85 -4.73 105.19 109.96 3i57 n GLY 131 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i57 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i57 s ILE 132 N -1.65 4.99 -0.18 -0.61 1.01 -1.23 -0.82 121.20 122.72 3i57 s ILE 132 Ca 0.00 1.17 -0.15 0.00 0.00 0.00 0.00 60.65 61.67 3i57 s ILE 132 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3i57 s ILE 132 CO 0.00 0.39 0.35 -0.69 0.00 0.00 0.00 174.94 174.99 3i57 s VAL 133 N 0.02 5.25 -0.65 2.92 1.01 -1.26 -1.57 120.40 126.12 3i57 s VAL 133 Ca 0.30 0.64 -0.24 0.00 0.00 0.00 0.00 61.98 62.68 3i57 s VAL 133 Cb -0.17 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.57 3i57 s VAL 133 CO 0.15 0.32 1.03 0.00 0.00 0.00 0.00 175.10 176.60 3i57 s ALA 134 N 0.87 3.05 0.24 5.51 0.00 -0.11 -4.89 121.76 126.43 3i57 s ALA 134 Ca 0.18 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 3i57 s ALA 134 Cb -0.14 -3.92 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 3i57 s ALA 134 CO 0.06 -2.80 1.02 -1.58 0.00 0.00 0.00 175.76 172.47 3i57 s TRP 135 N 4.39 3.77 0.00 0.00 0.52 -1.26 -1.31 118.94 125.05 3i57 s TRP 135 Ca 0.27 1.79 0.00 0.00 0.02 0.00 0.00 56.10 58.17 3i57 s TRP 135 Cb -0.14 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 3i57 s TRP 135 CO 0.13 -0.08 0.00 0.41 0.02 0.00 0.00 176.95 177.43 3i57 n GLY 136 N 1.48 -0.31 3.72 0.98 0.00 0.52 -4.97 105.19 106.62 3i57 n GLY 136 Ca -0.01 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3i57 n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i57 n LYS 137 N -0.81 1.36 -1.71 1.61 2.85 -1.26 -4.75 118.16 115.46 3i57 n LYS 137 Ca 0.00 0.52 -0.43 0.00 -1.05 0.00 0.00 58.31 57.35 3i57 n LYS 137 Cb 0.00 -2.52 -0.01 0.00 -0.65 0.00 0.00 35.03 31.85 3i57 n LYS 137 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3i57 n TRP 138 N -1.49 2.40 0.14 5.58 7.02 -1.26 -4.44 117.44 125.39 3i57 n TRP 138 Ca 0.13 0.49 0.01 0.00 -1.02 0.00 0.00 57.50 57.11 3i57 n TRP 138 Cb 0.46 -2.46 0.09 0.00 -2.42 0.00 0.00 31.31 26.98 3i57 n TRP 138 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3i57 h ASN 139 N 3.14 0.00 -3.43 -0.99 2.35 -1.19 -3.42 115.58 112.03 3i57 h ASN 139 Ca -0.46 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 54.62 3i57 h ASN 139 Cb 1.27 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.35 3i57 h ASN 139 CO 0.67 0.57 -0.73 -1.61 -1.65 0.00 0.00 177.43 174.68 3i57 s GLU 140 N -3.11 3.14 0.46 0.81 8.01 -1.26 -4.98 118.70 121.77 3i57 s GLU 140 Ca 0.02 -0.78 0.15 0.00 0.01 0.00 0.00 54.97 54.38 3i57 s GLU 140 Cb 0.09 -3.02 1.05 0.00 -4.31 0.00 0.00 34.13 27.94 3i57 s GLU 140 CO 0.74 -0.29 2.01 0.00 0.01 0.00 0.00 175.26 177.73 3i57 h ALA 141 N 8.08 1.68 -2.52 5.21 0.00 -1.96 -3.38 119.26 126.37 3i57 h ALA 141 Ca -0.38 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 3i57 h ALA 141 Cb 1.14 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 3i57 h ALA 141 CO 0.60 0.21 -0.25 0.45 0.00 0.00 0.00 179.25 180.26 3i57 s SER 142 N -6.94 -0.24 0.01 0.00 0.15 -1.26 -0.99 113.70 104.43 3i57 s SER 142 Ca -0.04 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3i57 s SER 142 Cb 0.16 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3i57 s SER 142 CO 0.69 -0.42 -0.03 -1.10 1.20 0.00 0.00 173.24 173.58 3i57 s GLN 143 N -1.16 0.23 -0.12 5.44 -1.52 -0.50 -4.96 119.66 117.07 3i57 s GLN 143 Ca -0.12 -0.37 -0.03 0.00 -1.95 0.00 0.00 55.36 52.89 3i57 s GLN 143 Cb -0.05 -0.01 -0.03 0.00 -0.22 0.00 0.00 33.01 32.70 3i57 s GLN 143 CO 0.04 -0.01 -0.01 -1.12 -0.25 0.00 0.00 175.29 173.94 3i57 s SER 144 N -0.84 5.09 0.52 5.90 0.01 -1.26 -0.90 113.70 122.22 3i57 s SER 144 Ca -0.08 0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 3i57 s SER 144 Cb -0.06 -1.60 -0.07 0.00 0.21 0.00 0.00 66.02 64.50 3i57 s SER 144 CO -0.00 0.29 1.03 -0.31 0.41 0.00 0.00 173.24 174.66 3i57 s TYR 145 N -0.33 3.06 0.60 2.43 2.02 -0.15 -4.91 117.35 120.07 3i57 s TYR 145 Ca 0.06 1.54 -0.19 0.00 -0.37 0.00 0.00 57.07 58.12 3i57 s TYR 145 Cb -0.12 -3.01 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3i57 s TYR 145 CO 0.02 -0.84 1.25 -1.59 -1.57 0.00 0.00 175.55 172.82 3i57 s LYS 146 N -3.61 2.86 0.23 -0.62 -2.85 -1.26 -4.58 119.74 109.90 3i57 s LYS 146 Ca 0.65 1.96 -0.30 0.00 -1.00 0.00 0.00 55.97 57.28 3i57 s LYS 146 Cb -0.15 -1.94 -0.09 0.00 -2.06 0.00 0.00 37.83 33.58 3i57 s LYS 146 CO 0.27 -1.33 1.29 0.00 0.10 0.00 0.00 175.35 175.67 3i57 s ALA 147 N -1.48 3.51 -0.25 0.59 0.00 -1.26 -4.84 121.76 118.02 3i57 s ALA 147 Ca 0.78 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 3i57 s ALA 147 Cb -0.34 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.33 3i57 s ALA 147 CO 0.37 -0.52 -0.03 -0.51 0.00 0.00 0.00 175.76 175.08 3i57 s LEU 148 N -0.55 3.26 -0.17 0.00 1.43 -0.60 -4.92 118.68 117.13 3i57 s LEU 148 Ca 0.54 -0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 3i57 s LEU 148 Cb -0.37 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3i57 s LEU 148 CO 0.41 -0.12 0.90 -0.89 0.23 0.00 0.00 176.35 176.89 3i57 s THR 149 N 1.40 4.83 0.30 5.49 2.01 -1.26 -0.82 115.64 127.57 3i57 s THR 149 Ca 0.02 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 3i57 s THR 149 Cb -0.16 -4.20 -0.11 0.00 0.01 0.00 0.00 72.50 68.04 3i57 s THR 149 CO -0.03 -0.01 1.46 -0.44 -0.69 0.00 0.00 174.62 174.90 3i57 s SER 150 N 1.16 6.56 0.91 3.53 0.01 0.08 -4.97 113.70 120.98 3i57 s SER 150 Ca 0.41 2.80 -0.11 0.00 1.31 0.00 0.00 55.95 60.37 3i57 s SER 150 Cb -0.17 -2.64 0.14 0.00 0.21 0.00 0.00 66.02 63.56 3i57 s SER 150 CO 0.12 -0.75 1.11 -2.16 0.41 0.00 0.00 173.24 171.98 3i57 s PRO 151 N -0.97 1.13 -0.18 12.44 0.04 -1.26 -4.96 135.00 141.24 3i57 s PRO 151 Ca 0.57 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 3i57 s PRO 151 Cb -0.44 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3i57 s PRO 151 CO 0.50 -2.48 0.43 0.99 0.04 0.00 0.00 177.00 176.48 3i57 s THR 152 N -2.72 5.19 -0.10 1.26 2.01 -1.26 -4.86 115.64 115.16 3i57 s THR 152 Ca 0.65 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3i57 s THR 152 Cb -0.21 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.56 3i57 s THR 152 CO 0.58 0.26 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.04 3i57 s ILE 153 N 1.19 1.14 0.18 1.82 1.01 -1.26 -5.11 121.20 120.18 3i57 s ILE 153 Ca 0.21 -0.41 -0.33 0.00 0.00 0.00 0.00 60.65 60.12 3i57 s ILE 153 Cb -0.15 -1.10 -0.13 0.00 0.01 0.00 0.00 42.46 41.09 3i57 s ILE 153 CO 0.08 0.38 1.64 0.00 0.00 0.00 0.00 174.94 177.04 3i57 n ALA 154 N 4.47 2.02 0.00 9.38 0.00 -1.26 -2.18 120.51 132.94 3i57 n ALA 154 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3i57 n ALA 154 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3i57 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i57 n GLY 155 N 3.63 2.28 3.38 0.00 0.00 -1.26 -5.01 105.19 108.21 3i57 n GLY 155 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3i57 n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i57 s TYR 156 N -2.31 2.08 0.03 1.61 2.02 -0.93 0.13 117.35 119.99 3i57 s TYR 156 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3i57 s TYR 156 Cb 0.00 -1.03 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 3i57 s TYR 156 CO 0.00 0.44 -0.23 0.00 -1.57 0.00 0.00 175.55 174.19 3i57 s ALA 157 N -1.89 2.39 0.39 3.71 0.00 0.38 -4.54 121.76 122.20 3i57 s ALA 157 Ca 0.19 -1.22 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3i57 s ALA 157 Cb -0.07 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 3i57 s ALA 157 CO 0.09 0.55 0.81 -1.25 0.00 0.00 0.00 175.76 175.96 3i57 s PRO 158 N -1.24 3.95 0.41 0.00 0.04 -1.26 -0.71 135.00 136.20 3i57 s PRO 158 Ca 0.13 0.70 0.09 0.00 0.04 0.00 0.00 61.00 61.96 3i57 s PRO 158 Cb -0.10 -2.34 0.88 0.00 0.04 0.00 0.00 34.50 32.98 3i57 s PRO 158 CO 0.03 0.00 2.01 0.66 0.04 0.00 0.00 177.00 179.74 3i57 h SER 159 N 1.67 0.32 -3.39 6.66 4.64 -0.87 -3.39 113.55 119.19 3i57 h SER 159 Ca -0.48 -0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.45 3i57 h SER 159 Cb 1.18 -0.08 -0.37 0.00 -0.31 0.00 0.00 62.40 62.82 3i57 h SER 159 CO 0.64 0.32 -0.75 -0.70 -0.87 0.00 0.00 176.83 175.47 3i57 s GLU 160 N -5.15 0.16 0.06 4.77 2.12 -1.26 -5.00 118.70 114.41 3i57 s GLU 160 Ca -0.07 0.21 -0.11 0.00 0.36 0.00 0.00 54.97 55.36 3i57 s GLU 160 Cb 0.17 -0.54 -0.28 0.00 0.26 0.00 0.00 34.13 33.73 3i57 s GLU 160 CO 0.72 -0.24 1.11 0.00 -0.54 0.00 0.00 175.26 176.32 3i57 h ALA 161 N 7.89 0.03 -3.32 6.30 0.00 -1.95 -3.41 119.26 124.80 3i57 h ALA 161 Ca -0.28 -0.82 -0.46 0.00 0.00 0.00 0.00 54.91 53.35 3i57 h ALA 161 Cb 1.12 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.64 3i57 h ALA 161 CO 0.32 0.78 -0.78 0.08 0.00 0.00 0.00 179.25 179.64 3i57 s VAL 162 N -2.84 0.71 -0.32 0.00 1.01 -1.26 -0.74 120.40 116.95 3i57 s VAL 162 Ca -0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3i57 s VAL 162 Cb 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3i57 s VAL 162 CO 0.92 0.29 0.19 -0.69 0.00 0.00 0.00 175.10 175.81 3i57 s VAL 163 N 1.41 4.93 -0.18 2.92 1.01 -0.00 -4.90 120.40 125.58 3i57 s VAL 163 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3i57 s VAL 163 Cb -0.13 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3i57 s VAL 163 CO -0.03 0.05 -0.19 -0.54 0.00 0.00 0.00 175.10 174.38 3i57 s LYS 164 N 1.67 3.01 0.18 2.72 1.02 -1.26 -1.56 119.74 125.52 3i57 s LYS 164 Ca 0.05 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 3i57 s LYS 164 Cb -0.17 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3i57 s LYS 164 CO 0.08 -0.20 0.13 1.03 -0.92 0.00 0.00 175.35 175.47 3i57 s ARG 165 N 1.28 1.14 0.18 1.68 1.81 -1.26 -5.06 118.95 118.72 3i57 s ARG 165 Ca 0.05 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 52.50 3i57 s ARG 165 Cb -0.13 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 3i57 s ARG 165 CO -0.12 -0.37 0.04 -1.12 -0.68 0.00 0.00 175.30 173.06 3i57 s SER 166 N -3.12 0.87 0.07 0.23 0.01 -1.26 -0.98 113.70 109.51 3i57 s SER 166 Ca 0.34 -1.23 0.06 0.00 1.31 0.00 0.00 55.95 56.43 3i57 s SER 166 Cb 0.07 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 3i57 s SER 166 CO 0.09 -0.66 -0.17 -0.44 0.41 0.00 0.00 173.24 172.47 3i57 s SER 167 N -3.16 2.03 0.38 2.44 0.01 -0.07 -4.93 113.70 110.39 3i57 s SER 167 Ca 0.27 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 3i57 s SER 167 Cb 0.07 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.11 3i57 s SER 167 CO 0.06 0.03 0.76 0.20 0.41 0.00 0.00 173.24 174.69 3i57 s ASN 168 N -1.53 6.60 0.52 2.44 0.01 -1.26 -1.40 114.94 120.31 3i57 s ASN 168 Ca 0.03 1.17 0.35 0.00 -0.71 0.00 0.00 52.86 53.70 3i57 s ASN 168 Cb -0.09 -2.34 1.76 0.00 0.41 0.00 0.00 41.25 40.99 3i57 s ASN 168 CO 0.02 -0.34 2.06 0.77 -1.51 0.00 0.00 177.10 178.11 3i57 h SER 169 N 1.57 0.00 0.21 -1.22 4.64 -1.25 -1.23 113.55 116.26 3i57 h SER 169 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i57 h SER 169 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3i57 h SER 169 CO 0.64 0.00 -0.15 -0.90 -0.87 0.00 0.00 176.83 175.55 3i57 n ASP 170 N -2.81 0.94 -4.77 4.97 5.75 -1.26 -4.90 116.55 114.47 3i57 n ASP 170 Ca -0.01 -0.94 -0.40 0.00 -0.01 0.00 0.00 54.79 53.43 3i57 n ASP 170 Cb 0.13 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 3i57 n ASP 170 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i57 s ALA 171 N -2.37 3.36 -0.10 2.12 0.00 -0.47 -4.97 121.76 119.33 3i57 s ALA 171 Ca 0.29 1.00 0.22 0.00 0.00 0.00 0.00 51.96 53.48 3i57 s ALA 171 Cb 0.20 -3.38 -0.22 0.00 0.00 0.00 0.00 23.12 19.72 3i57 s ALA 171 CO 0.46 -0.38 0.68 0.39 0.00 0.00 0.00 175.76 176.92 3i57 n GLU 172 N 0.77 0.64 -4.10 0.00 -0.58 -1.26 -4.93 120.64 111.18 3i57 n GLU 172 Ca 0.01 -0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 3i57 n GLU 172 Cb 0.45 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 3i57 n GLU 172 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3i57 s GLN 173 N -3.45 0.64 1.01 3.49 -0.21 -1.26 -4.99 119.66 114.88 3i57 s GLN 173 Ca -0.05 -0.99 -0.14 0.00 0.02 0.00 0.00 55.36 54.20 3i57 s GLN 173 Cb 0.12 -0.22 0.19 0.00 1.00 0.00 0.00 33.01 34.11 3i57 s GLN 173 CO 0.87 0.01 1.12 0.20 -2.12 0.00 0.00 175.29 175.37 3i57 s GLY 174 N -2.18 1.58 0.37 3.09 0.00 -1.19 -4.93 107.32 104.06 3i57 s GLY 174 Ca -0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.88 3i57 s GLY 174 CO -0.02 0.08 1.05 2.56 0.00 0.00 0.00 173.10 176.77 3i57 s PRO 175 N -5.20 4.28 -0.10 2.90 0.04 -1.25 -4.78 135.00 130.89 3i57 s PRO 175 Ca 0.66 1.56 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3i57 s PRO 175 Cb -0.15 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 3i57 s PRO 175 CO 0.56 -0.05 -0.16 0.99 0.04 0.00 0.00 177.00 178.38 3i57 s THR 176 N -1.55 2.84 0.21 1.26 2.01 -1.26 -1.29 115.64 117.85 3i57 s THR 176 Ca 0.55 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 3i57 s THR 176 Cb -0.24 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 3i57 s THR 176 CO 0.30 0.55 0.37 -1.48 -0.69 0.00 0.00 174.62 173.67 3i57 s LEU 177 N 0.02 0.62 -0.06 4.42 0.05 -0.27 -4.98 118.68 118.48 3i57 s LEU 177 Ca -0.05 -0.91 0.03 0.00 0.05 0.00 0.00 54.13 53.24 3i57 s LEU 177 Cb -0.15 1.44 0.01 0.00 -2.05 0.00 0.00 46.19 45.45 3i57 s LEU 177 CO 0.05 -1.01 -0.13 -0.89 -0.55 0.00 0.00 176.35 173.81 3i57 s THR 178 N -4.00 1.20 -0.21 5.48 2.01 -1.26 -0.57 115.64 118.29 3i57 s THR 178 Ca 0.21 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 3i57 s THR 178 Cb 0.02 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 3i57 s THR 178 CO 0.05 0.36 0.17 -0.69 -0.69 0.00 0.00 174.62 173.82 3i57 s VAL 179 N 0.48 5.37 -0.11 3.82 1.01 0.11 -4.95 120.40 126.13 3i57 s VAL 179 Ca -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3i57 s VAL 179 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3i57 s VAL 179 CO 0.03 0.39 -0.00 -0.63 0.00 0.00 0.00 175.10 174.89 3i57 s ILE 180 N 0.69 4.27 -0.16 2.22 1.01 -1.26 -1.46 121.20 126.51 3i57 s ILE 180 Ca 0.09 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 3i57 s ILE 180 Cb -0.12 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 3i57 s ILE 180 CO 0.02 0.56 0.22 -0.31 0.00 0.00 0.00 174.94 175.43 3i57 s TYR 181 N -0.45 3.47 -0.04 3.97 2.02 0.14 -0.13 117.35 126.33 3i57 s TYR 181 Ca 0.08 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.35 3i57 s TYR 181 Cb -0.12 -2.22 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 3i57 s TYR 181 CO 0.02 0.35 -0.23 0.99 -1.57 0.00 0.00 175.55 175.10 3i57 s THR 182 N 0.14 1.89 0.25 -0.71 2.01 0.12 -4.12 115.64 115.22 3i57 s THR 182 Ca 0.14 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 3i57 s THR 182 Cb -0.12 -1.59 -0.12 0.00 0.01 0.00 0.00 72.50 70.68 3i57 s THR 182 CO 0.02 0.53 1.65 0.00 -0.69 0.00 0.00 174.62 176.13 3i57 s ALA 183 N -0.30 3.83 -2.00 7.40 0.00 -1.26 -0.47 121.76 128.97 3i57 s ALA 183 Ca 0.02 1.58 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3i57 s ALA 183 Cb -0.12 -3.67 0.49 0.00 0.00 0.00 0.00 23.12 19.83 3i57 s ALA 183 CO 0.02 -0.95 0.95 -0.25 0.00 0.00 0.00 175.76 175.52