#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iy1 h TYR 16 N 0.00 0.00 -3.85 -0.32 0.99 -1.92 -3.43 116.97 108.43 2iy1 h TYR 16 Ca 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 2iy1 h TYR 16 Cb 0.00 0.00 -0.22 0.00 1.00 0.00 0.00 36.73 37.51 2iy1 h TYR 16 CO 0.00 0.02 -0.66 0.96 -0.00 0.00 0.00 178.16 178.49 2iy1 s ILE 17 N -4.62 0.09 -0.12 -2.88 -4.36 -1.08 -4.86 121.20 103.37 2iy1 s ILE 17 Ca -0.05 -0.76 -0.17 0.00 -0.26 0.00 0.00 60.65 59.41 2iy1 s ILE 17 Cb 0.15 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.55 2iy1 s ILE 17 CO 0.57 -0.42 0.45 -0.54 0.24 0.00 0.00 174.94 175.24 2iy1 s LYS 18 N -1.27 4.31 0.20 0.37 1.02 -1.26 -0.92 119.74 122.19 2iy1 s LYS 18 Ca -0.14 0.39 0.11 0.00 0.02 0.00 0.00 55.97 56.36 2iy1 s LYS 18 Cb -0.08 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2iy1 s LYS 18 CO -0.00 0.19 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.88 2iy1 s LEU 19 N 0.54 2.48 -0.25 3.17 1.43 0.27 -0.93 118.68 125.39 2iy1 s LEU 19 Ca 0.24 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.42 2iy1 s LEU 19 Cb -0.15 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2iy1 s LEU 19 CO 0.09 0.11 0.05 -0.54 0.23 0.00 0.00 176.35 176.30 2iy1 s LYS 20 N -2.73 3.59 -0.42 1.70 1.02 -0.12 -1.73 119.74 121.04 2iy1 s LYS 20 Ca 0.22 -0.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 2iy1 s LYS 20 Cb -0.08 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2iy1 s LYS 20 CO 0.10 -0.20 0.53 0.08 -0.92 0.00 0.00 175.35 174.95 2iy1 s VAL 21 N 1.59 4.97 -0.27 3.17 1.01 -0.21 0.33 120.40 130.99 2iy1 s VAL 21 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2iy1 s VAL 21 Cb -0.15 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2iy1 s VAL 21 CO 0.03 -0.48 0.06 -0.63 0.00 0.00 0.00 175.10 174.08 2iy1 s ILE 22 N 2.46 4.01 0.75 2.22 1.01 0.19 -1.08 121.20 130.75 2iy1 s ILE 22 Ca 0.17 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 2iy1 s ILE 22 Cb -0.16 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.37 2iy1 s ILE 22 CO 0.16 0.19 1.08 -0.83 0.00 0.00 0.00 174.94 175.54 2iy1 s GLY 23 N 1.53 1.67 0.00 6.18 0.00 0.72 -2.17 107.32 115.25 2iy1 s GLY 23 Ca 0.04 0.17 0.27 0.00 0.00 0.00 0.00 44.72 45.20 2iy1 s GLY 23 CO 0.02 0.51 1.91 -0.18 0.00 0.00 0.00 173.10 175.36 2iy1 n GLN 24 N -3.38 0.20 -0.10 2.90 7.27 -1.20 0.04 117.38 123.11 2iy1 n GLN 24 Ca 0.08 0.03 0.04 0.00 0.07 0.00 0.00 57.00 57.23 2iy1 n GLN 24 Cb 0.53 -1.50 0.15 0.00 2.41 0.00 0.00 30.24 31.83 2iy1 n GLN 24 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2iy1 n ASP 25 N -1.39 1.12 0.00 1.69 5.75 -1.26 -4.94 116.55 117.51 2iy1 n ASP 25 Ca 0.10 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2iy1 n ASP 25 Cb 0.27 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2iy1 n ASP 25 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2iy1 n SER 26 N 0.09 0.00 -4.79 -1.12 2.88 0.11 -5.04 113.62 105.74 2iy1 n SER 26 Ca 0.08 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 2iy1 n SER 26 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 2iy1 n SER 26 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2iy1 s SER 27 N -3.43 6.96 -0.05 -3.46 1.04 -1.25 -4.77 113.70 108.75 2iy1 s SER 27 Ca 0.00 1.88 0.05 0.00 0.48 0.00 0.00 55.95 58.36 2iy1 s SER 27 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 2iy1 s SER 27 CO 0.00 -0.34 -0.19 -1.61 0.98 0.00 0.00 173.24 172.08 2iy1 s GLU 28 N -2.58 2.43 -0.12 4.02 2.02 -1.26 -0.20 118.70 123.01 2iy1 s GLU 28 Ca 0.57 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2iy1 s GLU 28 Cb -0.17 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.82 2iy1 s GLU 28 CO 0.22 0.55 -0.14 0.42 0.02 0.00 0.00 175.26 176.33 2iy1 s ILE 29 N -0.57 1.46 -0.05 -1.63 1.01 -0.24 -4.98 121.20 116.19 2iy1 s ILE 29 Ca 0.08 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 2iy1 s ILE 29 Cb -0.11 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2iy1 s ILE 29 CO 0.01 0.44 0.58 -1.00 0.00 0.00 0.00 174.94 174.97 2iy1 s HIS 30 N 1.19 3.61 0.07 3.97 3.76 -1.26 -1.04 115.29 125.58 2iy1 s HIS 30 Ca -0.02 1.12 0.08 0.00 -0.15 0.00 0.00 55.06 56.09 2iy1 s HIS 30 Cb -0.14 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 2iy1 s HIS 30 CO -0.05 0.24 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.80 2iy1 s PHE 31 N 0.28 1.91 -0.21 1.40 0.40 -0.71 -5.00 117.98 116.06 2iy1 s PHE 31 Ca 0.31 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2iy1 s PHE 31 Cb -0.17 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 2iy1 s PHE 31 CO 0.15 0.15 0.04 0.21 0.70 0.00 0.00 175.22 176.48 2iy1 s LYS 32 N -1.49 3.74 0.03 0.44 2.20 -1.26 -0.57 119.74 122.83 2iy1 s LYS 32 Ca 0.08 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2iy1 s LYS 32 Cb -0.09 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 2iy1 s LYS 32 CO 0.03 0.03 -0.05 0.54 -0.36 0.00 0.00 175.35 175.54 2iy1 s VAL 33 N 1.00 0.29 0.27 4.02 0.11 -0.09 -4.65 120.40 121.35 2iy1 s VAL 33 Ca 0.03 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 2iy1 s VAL 33 Cb -0.14 -0.46 -0.09 0.00 -1.53 0.00 0.00 36.38 34.16 2iy1 s VAL 33 CO 0.02 -0.48 1.16 -0.75 -3.33 0.00 0.00 175.10 171.73 2iy1 s LYS 34 N -1.63 4.55 0.47 1.54 2.20 -1.26 -2.00 119.74 123.61 2iy1 s LYS 34 Ca -0.12 1.90 0.17 0.00 -0.36 0.00 0.00 55.97 57.55 2iy1 s LYS 34 Cb -0.09 -3.18 1.11 0.00 -1.51 0.00 0.00 37.83 34.16 2iy1 s LYS 34 CO -0.01 0.07 2.02 1.98 -0.36 0.00 0.00 175.35 179.04 2iy1 h MET 35 N 4.10 0.00 -0.23 4.03 1.85 -1.95 -3.01 114.93 119.72 2iy1 h MET 35 Ca -0.47 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 2iy1 h MET 35 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2iy1 h MET 35 CO 0.69 0.16 0.00 2.41 -0.40 0.00 0.00 176.91 179.77 2iy1 n THR 36 N -4.18 0.43 -3.06 -0.77 -1.04 -1.26 -1.63 114.28 102.77 2iy1 n THR 36 Ca -0.02 -0.71 -0.39 0.00 -2.04 0.00 0.00 64.05 60.88 2iy1 n THR 36 Cb 0.24 0.98 -0.06 0.00 -1.82 0.00 0.00 70.33 69.67 2iy1 n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2iy1 s THR 37 N -1.20 4.56 0.42 12.58 2.01 -1.14 -4.95 115.64 127.92 2iy1 s THR 37 Ca 0.25 1.56 -0.26 0.00 0.31 0.00 0.00 61.69 63.55 2iy1 s THR 37 Cb 0.15 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2iy1 s THR 37 CO 0.22 0.49 1.36 1.41 -0.69 0.00 0.00 174.62 177.41 2iy1 n HIS 38 N 1.96 2.47 1.87 4.92 8.25 -1.26 -4.39 115.22 129.05 2iy1 n HIS 38 Ca -0.06 0.47 0.15 0.00 -0.26 0.00 0.00 57.72 58.03 2iy1 n HIS 38 Cb 0.50 -2.43 0.82 0.00 1.12 0.00 0.00 29.99 30.00 2iy1 n HIS 38 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2iy1 n LEU 39 N 0.13 0.37 -0.07 2.41 4.77 -0.15 -4.13 117.00 120.33 2iy1 n LEU 39 Ca 0.05 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2iy1 n LEU 39 Cb 0.40 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2iy1 n LEU 39 CO 0.60 0.06 0.77 0.50 -1.33 0.00 0.00 177.39 177.99 2iy1 h LYS 40 N 0.57 -0.09 -0.63 3.23 3.64 -1.79 -1.48 116.57 120.03 2iy1 h LYS 40 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2iy1 h LYS 40 Cb 0.12 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2iy1 h LYS 40 CO 0.00 -0.06 0.31 -0.22 -2.27 0.00 0.00 179.45 177.21 2iy1 h LYS 41 N -0.09 0.88 0.06 1.90 1.63 -1.90 -1.06 116.57 117.99 2iy1 h LYS 41 Ca 0.15 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2iy1 h LYS 41 Cb 0.32 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2iy1 h LYS 41 CO -0.35 0.67 -0.04 1.25 -3.45 0.00 0.00 179.45 177.53 2iy1 h LEU 42 N 0.88 -0.11 -0.68 5.20 6.46 -1.63 -1.24 115.31 124.19 2iy1 h LEU 42 Ca 0.22 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 2iy1 h LEU 42 Cb 0.07 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 2iy1 h LEU 42 CO -0.03 -0.07 0.40 0.11 -0.62 0.00 0.00 178.44 178.23 2iy1 h LYS 43 N -0.11 0.75 -0.02 1.25 1.57 -0.80 -1.49 116.57 117.72 2iy1 h LYS 43 Ca -0.00 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2iy1 h LYS 43 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2iy1 h LYS 43 CO 0.00 0.49 -0.59 0.93 -0.57 0.00 0.00 179.45 179.72 2iy1 h GLU 44 N 0.77 0.06 -0.04 3.15 5.08 -0.99 -2.15 114.58 120.46 2iy1 h GLU 44 Ca 0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2iy1 h GLU 44 Cb 0.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2iy1 h GLU 44 CO -0.14 0.63 0.00 0.77 -1.00 0.00 0.00 179.01 179.28 2iy1 h SER 45 N 0.05 0.07 0.26 1.42 0.02 -0.94 -1.93 113.55 112.49 2iy1 h SER 45 Ca -0.01 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2iy1 h SER 45 Cb 1.05 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2iy1 h SER 45 CO 0.08 0.33 -0.25 0.22 -1.14 0.00 0.00 176.83 176.07 2iy1 h TYR 46 N -0.19 -0.66 -0.75 3.45 3.20 -0.90 0.81 116.97 121.93 2iy1 h TYR 46 Ca 0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2iy1 h TYR 46 Cb 0.29 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2iy1 h TYR 46 CO 0.02 -0.37 0.27 0.00 -1.64 0.00 0.00 178.16 176.44 2iy1 h GLN 48 N 1.10 0.41 -0.20 0.00 -0.00 -1.11 -1.26 115.11 114.05 2iy1 h GLN 48 Ca 0.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.87 2iy1 h GLN 48 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 2iy1 h GLN 48 CO -0.01 0.28 0.12 -0.09 0.00 0.00 0.00 178.83 179.12 2iy1 h ARG 49 N 0.42 0.27 0.00 1.69 9.65 -0.44 -2.00 114.38 123.97 2iy1 h ARG 49 Ca 0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2iy1 h ARG 49 Cb -0.05 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 2iy1 h ARG 49 CO -0.02 0.20 -0.25 0.94 2.80 0.00 0.00 179.97 183.63 2iy1 n GLN 50 N -4.49 0.05 -1.02 0.20 -0.06 -0.18 -4.94 117.38 106.94 2iy1 n GLN 50 Ca 0.00 0.03 -0.01 0.00 -2.00 0.00 0.00 57.00 55.02 2iy1 n GLN 50 Cb 0.09 -1.54 -0.00 0.00 -4.06 0.00 0.00 30.24 24.72 2iy1 n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2iy1 n GLY 51 N 1.47 0.42 3.76 1.69 0.00 -0.54 -5.05 105.19 106.94 2iy1 n GLY 51 Ca 0.06 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2iy1 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iy1 s VAL 52 N -1.76 4.13 0.58 1.61 -7.23 -0.84 -5.02 120.40 111.86 2iy1 s VAL 52 Ca 0.00 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 2iy1 s VAL 52 Cb 0.00 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2iy1 s VAL 52 CO 0.00 -0.35 1.04 -2.16 -0.31 0.00 0.00 175.10 173.33 2iy1 s PRO 53 N -3.75 3.42 0.12 4.82 0.04 -1.26 -4.41 135.00 133.98 2iy1 s PRO 53 Ca 0.32 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 2iy1 s PRO 53 Cb -0.07 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2iy1 s PRO 53 CO 0.23 -0.72 1.64 1.98 0.04 0.00 0.00 177.00 180.17 2iy1 h MET 54 N 0.48 -0.40 0.00 4.56 1.85 -1.97 -2.85 114.93 116.60 2iy1 h MET 54 Ca -0.47 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2iy1 h MET 54 Cb 1.21 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.33 2iy1 h MET 54 CO 0.58 -0.27 0.05 0.27 -0.40 0.00 0.00 176.91 177.14 2iy1 n ASN 55 N -5.37 0.07 0.07 1.39 0.23 -1.26 -0.75 115.26 109.64 2iy1 n ASN 55 Ca -0.05 0.50 0.13 0.00 -0.53 0.00 0.00 54.58 54.62 2iy1 n ASN 55 Cb 0.29 -0.50 0.32 0.00 -2.08 0.00 0.00 39.78 37.81 2iy1 n ASN 55 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2iy1 n SER 56 N -1.57 0.66 -4.74 0.53 3.41 -1.07 -4.86 113.62 105.98 2iy1 n SER 56 Ca -0.00 0.32 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 2iy1 n SER 56 Cb 0.05 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2iy1 n SER 56 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2iy1 s LEU 57 N -4.12 3.53 -0.06 1.04 1.43 0.07 -2.03 118.68 118.54 2iy1 s LEU 57 Ca 0.09 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2iy1 s LEU 57 Cb 0.14 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2iy1 s LEU 57 CO 0.65 0.00 0.11 -0.13 0.23 0.00 0.00 176.35 177.21 2iy1 s ARG 58 N -3.60 -0.02 -0.36 1.70 1.81 0.14 -4.86 118.95 113.76 2iy1 s ARG 58 Ca 0.31 0.46 -0.12 0.00 -1.72 0.00 0.00 55.73 54.66 2iy1 s ARG 58 Cb -0.08 -0.38 0.01 0.00 -0.45 0.00 0.00 34.95 34.05 2iy1 s ARG 58 CO 0.22 -0.31 0.23 -0.06 -0.68 0.00 0.00 175.30 174.70 2iy1 s PHE 59 N 2.16 3.22 -0.02 -0.53 0.40 -1.26 -0.55 117.98 121.39 2iy1 s PHE 59 Ca 0.03 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 2iy1 s PHE 59 Cb -0.12 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 2iy1 s PHE 59 CO -0.04 -0.51 -0.07 -0.51 0.70 0.00 0.00 175.22 174.78 2iy1 s LEU 60 N 1.64 3.17 -0.27 -0.37 1.43 0.98 -0.88 118.68 124.37 2iy1 s LEU 60 Ca 0.04 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2iy1 s LEU 60 Cb -0.18 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.32 2iy1 s LEU 60 CO 0.08 0.31 -0.05 0.12 0.23 0.00 0.00 176.35 177.05 2iy1 s PHE 61 N -0.92 3.21 -1.44 0.29 2.19 -0.30 -0.55 117.98 120.46 2iy1 s PHE 61 Ca 0.15 -1.91 -0.11 0.00 0.33 0.00 0.00 56.93 55.39 2iy1 s PHE 61 Cb -0.11 -2.04 0.02 0.00 -1.31 0.00 0.00 43.02 39.57 2iy1 s PHE 61 CO 0.05 -0.81 0.24 0.39 1.83 0.00 0.00 175.22 176.92 2iy1 n GLU 62 N 4.58 -0.81 0.00 10.12 1.02 -1.26 -1.35 120.64 132.94 2iy1 n GLU 62 Ca -0.14 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2iy1 n GLU 62 Cb 0.44 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.59 2iy1 n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iy1 n GLY 63 N -2.41 2.84 3.67 0.62 0.00 -1.26 -5.00 105.19 103.66 2iy1 n GLY 63 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2iy1 n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2iy1 s GLN 64 N -0.04 4.34 0.16 1.61 2.00 -0.46 -4.96 119.66 122.31 2iy1 s GLN 64 Ca 0.00 1.29 -0.32 0.00 -2.00 0.00 0.00 55.36 54.33 2iy1 s GLN 64 Cb 0.00 -3.58 -0.12 0.00 0.80 0.00 0.00 33.01 30.11 2iy1 s GLN 64 CO 0.00 -0.42 1.73 -2.13 -0.50 0.00 0.00 175.29 173.97 2iy1 n ARG 65 N 5.50 2.62 -3.30 1.67 3.00 -1.26 -1.15 116.66 123.73 2iy1 n ARG 65 Ca 0.09 0.95 -0.42 0.00 -0.00 0.00 0.00 57.85 58.47 2iy1 n ARG 65 Cb 0.48 -2.79 -0.08 0.00 0.00 0.00 0.00 32.46 30.06 2iy1 n ARG 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2iy1 s ILE 66 N 1.73 5.06 0.73 5.15 1.01 -0.06 -4.93 121.20 129.90 2iy1 s ILE 66 Ca 0.79 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 2iy1 s ILE 66 Cb -0.55 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 37.98 2iy1 s ILE 66 CO 0.36 -0.28 1.10 0.00 0.00 0.00 0.00 174.94 176.12 2iy1 s ALA 67 N 2.25 2.75 0.36 9.38 0.00 -1.26 -4.76 121.76 130.48 2iy1 s ALA 67 Ca 0.15 -0.34 0.33 0.00 0.00 0.00 0.00 51.96 52.10 2iy1 s ALA 67 Cb -0.16 -3.04 1.60 0.00 0.00 0.00 0.00 23.12 21.52 2iy1 s ALA 67 CO 0.13 -1.29 2.10 -0.44 0.00 0.00 0.00 175.76 176.26 2iy1 h ASP 68 N -0.77 0.00 -0.41 0.00 3.45 -1.97 -2.63 116.42 114.09 2iy1 h ASP 68 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 2iy1 h ASP 68 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 2iy1 h ASP 68 CO 0.63 0.07 0.00 -0.46 -1.57 0.00 0.00 179.24 177.91 2iy1 n ASN 69 N -3.35 3.31 -4.77 6.45 0.23 -1.26 -2.99 115.26 112.88 2iy1 n ASN 69 Ca -0.01 -1.94 -0.39 0.00 -0.53 0.00 0.00 54.58 51.71 2iy1 n ASN 69 Cb 0.23 -0.27 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 2iy1 n ASN 69 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2iy1 s HIS 70 N -1.24 3.04 0.15 -2.53 3.76 -0.99 -4.81 115.29 112.67 2iy1 s HIS 70 Ca 0.35 1.53 0.11 0.00 -0.15 0.00 0.00 55.06 56.90 2iy1 s HIS 70 Cb 0.20 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2iy1 s HIS 70 CO 0.27 -1.44 -0.25 0.95 -0.85 0.00 0.00 174.74 173.42 2iy1 s THR 71 N -1.36 2.25 0.33 1.30 -4.23 -1.26 -0.98 115.64 111.68 2iy1 s THR 71 Ca 0.56 -1.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.34 2iy1 s THR 71 Cb -0.32 -2.01 0.33 0.00 1.34 0.00 0.00 72.50 71.84 2iy1 s THR 71 CO 0.41 0.00 1.64 -0.65 -0.54 0.00 0.00 174.62 175.48 2iy1 h PRO 72 N 3.65 0.22 -0.09 3.99 0.11 -1.76 -1.43 132.00 136.69 2iy1 h PRO 72 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2iy1 h PRO 72 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2iy1 h PRO 72 CO 0.42 0.14 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.13 2iy1 h LYS 73 N 0.22 0.15 -0.84 1.05 3.64 -1.64 -1.24 116.57 117.91 2iy1 h LYS 73 Ca 0.69 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 60.18 2iy1 h LYS 73 Cb 1.58 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.29 2iy1 h LYS 73 CO -0.67 0.44 0.41 0.93 -2.27 0.00 0.00 179.45 178.30 2iy1 h GLU 74 N -0.15 0.56 -0.00 1.90 5.08 -1.70 -1.73 114.58 118.54 2iy1 h GLU 74 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2iy1 h GLU 74 Cb 0.37 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2iy1 h GLU 74 CO 0.01 0.37 -0.15 1.28 -1.00 0.00 0.00 179.01 179.51 2iy1 n LEU 75 N -4.91 0.42 -2.67 1.33 4.77 -0.59 -4.94 117.00 110.41 2iy1 n LEU 75 Ca 0.17 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 2iy1 n LEU 75 Cb 0.46 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2iy1 n LEU 75 CO 0.20 0.08 0.14 0.61 -1.33 0.00 0.00 177.39 177.09 2iy1 n GLY 76 N 1.35 -0.10 3.82 -0.72 0.00 -0.65 -5.02 105.19 103.87 2iy1 n GLY 76 Ca 0.12 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2iy1 n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iy1 s MET 77 N -5.59 4.22 0.34 1.61 -1.94 -0.54 -5.05 119.30 112.34 2iy1 s MET 77 Ca 0.27 0.85 0.10 0.00 -1.71 0.00 0.00 55.69 55.19 2iy1 s MET 77 Cb -0.12 -2.80 -0.06 0.00 2.01 0.00 0.00 34.83 33.86 2iy1 s MET 77 CO 0.51 0.35 -0.07 -1.21 -0.01 0.00 0.00 175.02 174.59 2iy1 s GLU 78 N -2.15 1.89 0.18 2.03 2.02 -1.26 -4.86 118.70 116.54 2iy1 s GLU 78 Ca 0.45 -1.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 2iy1 s GLU 78 Cb -0.16 -1.77 -0.17 0.00 0.10 0.00 0.00 34.13 32.13 2iy1 s GLU 78 CO 0.20 0.15 0.75 -1.91 0.02 0.00 0.00 175.26 174.48 2iy1 n GLU 79 N -0.83 0.35 -1.04 1.61 4.07 -1.26 -1.46 120.64 122.08 2iy1 n GLU 79 Ca -0.05 0.12 -0.01 0.00 -0.06 0.00 0.00 57.16 57.16 2iy1 n GLU 79 Cb 0.63 -1.31 -0.01 0.00 -0.06 0.00 0.00 31.44 30.69 2iy1 n GLU 79 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2iy1 n GLU 80 N 1.12 -0.90 -1.34 5.31 -0.00 -0.11 -4.99 120.64 119.73 2iy1 n GLU 80 Ca 0.17 0.32 -0.30 0.00 -0.00 0.00 0.00 57.16 57.34 2iy1 n GLU 80 Cb 0.24 -4.05 0.11 0.00 -0.00 0.00 0.00 31.44 27.73 2iy1 n GLU 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2iy1 s ASP 81 N -2.13 4.13 -0.14 -1.84 1.01 -0.54 -4.66 116.67 112.51 2iy1 s ASP 81 Ca 0.00 1.52 -0.00 0.00 0.71 0.00 0.00 52.55 54.78 2iy1 s ASP 81 Cb 0.00 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 2iy1 s ASP 81 CO 0.00 -2.23 -0.13 -0.69 0.21 0.00 0.00 175.17 172.33 2iy1 s VAL 82 N -3.00 2.95 -0.23 -1.27 1.01 -1.26 -0.94 120.40 117.66 2iy1 s VAL 82 Ca 0.62 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2iy1 s VAL 82 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2iy1 s VAL 82 CO 0.56 0.52 0.07 -0.63 0.00 0.00 0.00 175.10 175.62 2iy1 s ILE 83 N 0.50 4.52 -0.10 2.22 1.01 0.15 -4.50 121.20 124.99 2iy1 s ILE 83 Ca -0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 2iy1 s ILE 83 Cb -0.16 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2iy1 s ILE 83 CO 0.04 0.37 0.22 -1.61 0.00 0.00 0.00 174.94 173.97 2iy1 s GLU 84 N 1.23 3.73 -0.15 2.79 2.02 0.29 0.54 118.70 129.14 2iy1 s GLU 84 Ca 0.05 0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.02 2iy1 s GLU 84 Cb -0.14 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2iy1 s GLU 84 CO 0.04 0.65 -0.01 0.08 0.02 0.00 0.00 175.26 176.04 2iy1 s VAL 85 N -0.73 4.18 0.05 2.63 1.01 -0.92 -0.02 120.40 126.61 2iy1 s VAL 85 Ca 0.17 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.95 2iy1 s VAL 85 Cb -0.13 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2iy1 s VAL 85 CO 0.06 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.17 2iy1 s TYR 86 N 0.17 1.60 0.52 5.22 1.51 0.28 -3.26 117.35 123.40 2iy1 s TYR 86 Ca 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2iy1 s TYR 86 Cb -0.13 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2iy1 s TYR 86 CO 0.02 0.08 0.76 1.14 -1.11 0.00 0.00 175.55 176.45 2iy1 s GLN 87 N -1.24 2.85 0.50 -0.62 0.00 -1.26 0.24 119.66 120.13 2iy1 s GLN 87 Ca 0.05 -0.45 -0.23 0.00 -0.00 0.00 0.00 55.36 54.73 2iy1 s GLN 87 Cb -0.09 -2.46 -0.07 0.00 0.00 0.00 0.00 33.01 30.39 2iy1 s GLN 87 CO 0.02 -0.52 1.21 -1.91 0.00 0.00 0.00 175.29 174.09 2iy1 n GLU 88 N -2.29 1.59 -4.84 9.60 2.13 -0.86 -4.84 120.64 121.12 2iy1 n GLU 88 Ca 0.04 0.58 -0.33 0.00 0.66 0.00 0.00 57.16 58.11 2iy1 n GLU 88 Cb 0.58 -2.37 -0.16 0.00 0.27 0.00 0.00 31.44 29.76 2iy1 n GLU 88 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2iy1 s GLN 89 N -2.53 3.15 0.19 5.31 -0.21 -1.26 -5.12 119.66 119.20 2iy1 s GLN 89 Ca 0.68 -0.80 0.09 0.00 0.02 0.00 0.00 55.36 55.35 2iy1 s GLN 89 Cb -0.46 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2iy1 s GLN 89 CO 0.53 0.10 -0.18 0.95 -2.12 0.00 0.00 175.29 174.56 2iy1 s THR 90 N 0.57 1.97 -0.14 -0.19 -4.23 -1.26 -5.16 115.64 107.20 2iy1 s THR 90 Ca -0.11 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 2iy1 s THR 90 Cb -0.16 -1.99 0.12 0.00 1.34 0.00 0.00 72.50 71.81 2iy1 s THR 90 CO 0.04 -0.36 0.94 -0.83 -0.54 0.00 0.00 174.62 173.87 2iy1 s GLY 91 N -2.92 -0.33 0.00 3.99 0.00 -1.26 -5.09 107.32 101.71 2iy1 s GLY 91 Ca 0.20 1.87 0.00 0.00 0.00 0.00 0.00 44.72 46.78 2iy1 s GLY 91 CO 0.08 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.78 2iy1 n GLY 92 N 0.72 0.01 3.70 0.20 0.00 -1.26 -5.16 105.19 103.40 2iy1 n GLY 92 Ca -0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2iy1 n GLY 92 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2iy1 s HIS 93 N -1.00 -0.28 0.16 1.61 -3.43 -1.26 -5.18 115.29 105.91 2iy1 s HIS 93 Ca 0.00 -0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.25 2iy1 s HIS 93 Cb 0.00 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 2iy1 s HIS 93 CO 0.00 -1.02 0.09 -1.54 -2.00 0.00 0.00 174.74 170.27 2iy1 s SER 94 N -2.85 5.31 0.35 7.38 1.04 -1.26 -5.13 113.70 118.53 2iy1 s SER 94 Ca 0.08 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.40 2iy1 s SER 94 Cb -0.04 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 2iy1 s SER 94 CO -0.00 0.09 0.18 0.42 0.98 0.00 0.00 173.24 174.91 2iy1 s THR 95 N -1.70 3.07 0.00 2.02 -4.23 -1.26 -5.01 115.64 108.53 2iy1 s THR 95 Ca 0.30 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2iy1 s THR 95 Cb -0.10 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2iy1 s THR 95 CO 0.22 -0.16 0.00 1.33 -0.54 0.00 0.00 174.62 175.47 2iy1 n VAL 96 N -1.22 0.00 -0.79 2.29 0.24 -1.26 -5.34 118.33 112.25 2iy1 n VAL 96 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2iy1 n VAL 96 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2iy1 n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69